[(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C17H24N8O2 — CID 168895214

IUPAC[(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCNc1nncc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
InChIInChI=1S/C17H24N8O2/c1-17(5-6-17)22-16(26)27-11-4-3-10(7-11)12-8-13(24-23-12)20-14-9-19-25-15(18-2)21-14/h8-11H,3-7H2,1-2H3,(H,22,26)(H3,18,20,21,23,24,25)/t10-,11+/m0/s1
InChIKeyKEEYQWNKPHEQQK-WDEREUQCSA-N
MW372.43 g/mol
LogP2.29
Rot. Bonds6

About [(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 168895214) has the molecular formula C17H24N8O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID168895214
Molecular FormulaC17H24N8O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name[(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCNc1nncc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1
InChIInChI=1S/C17H24N8O2/c1-17(5-6-17)22-16(26)27-11-4-3-10(7-11)12-8-13(24-23-12)20-14-9-19-25-15(18-2)21-14/h8-11H,3-7H2,1-2H3,(H,22,26)(H3,18,20,21,23,24,25)/t10-,11+/m0/s1
InChIKeyKEEYQWNKPHEQQK-WDEREUQCSA-N
XLogP2.29
TPSA129.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[(1R,3S)-3-[3-[(3-methoxy-1,2,4-triazin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895247
[(1R,3S)-3-[3-[[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293718
[3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293693
[(1R,3S)-3-[3-[[2-(5-methylpyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616562
[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 170073903
[(1R,3S)-3-[3-[[2-(6-methyl-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616882
[3-[3-[[2-(2-cyclopropyl-1,3-oxazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 155025446
[(1R,3S)-3-[3-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616684
[(1R,3S)-3-[3-[(2-ethoxypyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293954
[3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 176998153
[(1R,3S)-3-[3-[[2-(1-aminoethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293760
[3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169141887

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 168895214) is [(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CNc1nncc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n1.
What is the InChIKey of [(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is KEEYQWNKPHEQQK-WDEREUQCSA-N. The full InChI is InChI=1S/C17H24N8O2/c1-17(5-6-17)22-16(26)27-11-4-3-10(7-11)12-8-13(24-23-12)20-14-9-19-25-15(18-2)21-14/h8-11H,3-7H2,1-2H3,(H,22,26)(H3,18,20,21,23,24,25)/t10-,11+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 372.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 168895214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).