N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine

C20H26N8 — CID 175621949

IUPACN-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine
SMILESCc1cnc(NCC2CC[C@H](Nc3ccc(-n4nc(C)cc4C)cn3)C2)nn1
InChIInChI=1S/C20H26N8/c1-13-8-15(3)28(27-13)18-6-7-19(21-12-18)24-17-5-4-16(9-17)11-23-20-22-10-14(2)25-26-20/h6-8,10,12,16-17H,4-5,9,11H2,1-3H3,(H,21,24)(H,22,23,26)/t16?,17-/m0/s1
InChIKeyNHJISSWJXRQQJN-DJNXLDHESA-N
MW378.48 g/mol
LogP3.07
Rot. Bonds6

About N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine

N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine (PubChem CID 175621949) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine
PubChem CID175621949
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC NameN-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine
SMILESCc1cnc(NCC2CC[C@H](Nc3ccc(-n4nc(C)cc4C)cn3)C2)nn1
InChIInChI=1S/C20H26N8/c1-13-8-15(3)28(27-13)18-6-7-19(21-12-18)24-17-5-4-16(9-17)11-23-20-22-10-14(2)25-26-20/h6-8,10,12,16-17H,4-5,9,11H2,1-3H3,(H,21,24)(H,22,23,26)/t16?,17-/m0/s1
InChIKeyNHJISSWJXRQQJN-DJNXLDHESA-N
XLogP3.07
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one
CID 171100758
N-[[(1S,3R)-3-(methylamino)cyclopentyl]methyl]-3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 144695412
1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one
CID 177336126
trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine
CID 171101134
2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 119894640
4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
CID 112816364
1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one
CID 112583735
N-[[(1R,3S)-3-[[5-[3-(3-ethynylazetidin-1-yl)-6-oxopyridazin-1-yl]-2-pyridinyl]amino]cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 176917104
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine
CID 106124022
1-[(4-methoxyphenyl)methyl]-3-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]imidazo[4,5-b]pyridin-2-one
CID 177336356
N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
CID 578915
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(3,5-dimethylpyrazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 46184610

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine (CID 175621949) is N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine is Cc1cnc(NCC2CC[C@H](Nc3ccc(-n4nc(C)cc4C)cn3)C2)nn1.
What is the InChIKey of N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine?
The InChIKey is NHJISSWJXRQQJN-DJNXLDHESA-N. The full InChI is InChI=1S/C20H26N8/c1-13-8-15(3)28(27-13)18-6-7-19(21-12-18)24-17-5-4-16(9-17)11-23-20-22-10-14(2)25-26-20/h6-8,10,12,16-17H,4-5,9,11H2,1-3H3,(H,21,24)(H,22,23,26)/t16?,17-/m0/s1.
What are the key properties of N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine?
N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine has a molecular weight of 378.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 175621949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).