1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide

C18H24N8O — CID 98308001

IUPAC1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide
SMILESCC[C@@H](NC(=O)c1cn(C2CCC(N)CC2)nn1)c1cn2cccnc2n1
InChIInChI=1S/C18H24N8O/c1-2-14(15-10-25-9-3-8-20-18(25)22-15)21-17(27)16-11-26(24-23-16)13-6-4-12(19)5-7-13/h3,8-14H,2,4-7,19H2,1H3,(H,21,27)/t12?,13?,14-/m1/s1
InChIKeyPPTCJFJMZNGBIV-JXQTWKCFSA-N
MW368.45 g/mol
LogP1.64
Rot. Bonds5

About 1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide (PubChem CID 98308001) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide
PubChem CID98308001
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide
SMILESCC[C@@H](NC(=O)c1cn(C2CCC(N)CC2)nn1)c1cn2cccnc2n1
InChIInChI=1S/C18H24N8O/c1-2-14(15-10-25-9-3-8-20-18(25)22-15)21-17(27)16-11-26(24-23-16)13-6-4-12(19)5-7-13/h3,8-14H,2,4-7,19H2,1H3,(H,21,27)/t12?,13?,14-/m1/s1
InChIKeyPPTCJFJMZNGBIV-JXQTWKCFSA-N
XLogP1.64
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide
CID 99973548
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97133513
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-methyl-2-pyrrolidin-1-ylpropanamide
CID 126436371
1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea
CID 72879096
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155938444
3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide
CID 99933087
1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 98370670
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 99973207
1-(4-aminocyclohexyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 70783332
1-(4-aminocyclohexyl)-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole-4-carboxamide
CID 98256590
5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide
CID 90653702
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72916676

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide (CID 98308001) is 1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide is CC[C@@H](NC(=O)c1cn(C2CCC(N)CC2)nn1)c1cn2cccnc2n1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide?
The InChIKey is PPTCJFJMZNGBIV-JXQTWKCFSA-N. The full InChI is InChI=1S/C18H24N8O/c1-2-14(15-10-25-9-3-8-20-18(25)22-15)21-17(27)16-11-26(24-23-16)13-6-4-12(19)5-7-13/h3,8-14H,2,4-7,19H2,1H3,(H,21,27)/t12?,13?,14-/m1/s1.
What are the key properties of 1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide is sourced from PubChem (CID 98308001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).