1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide

C15H22N8O — CID 122294919

IUPAC1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide
SMILESCc1cc(N2CCCC2)nc(NCCNC(=O)c2cn(C)nn2)n1
InChIInChI=1S/C15H22N8O/c1-11-9-13(23-7-3-4-8-23)19-15(18-11)17-6-5-16-14(24)12-10-22(2)21-20-12/h9-10H,3-8H2,1-2H3,(H,16,24)(H,17,18,19)
InChIKeyMWNQREBACCNPTO-UHFFFAOYSA-N
MW330.40 g/mol
LogP0.36
Rot. Bonds6

About 1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide

1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide (PubChem CID 122294919) has the molecular formula C15H22N8O and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide
PubChem CID122294919
Molecular FormulaC15H22N8O
Molecular Weight330.40 g/mol
Exact Mass330.19
IUPAC Name1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide
SMILESCc1cc(N2CCCC2)nc(NCCNC(=O)c2cn(C)nn2)n1
InChIInChI=1S/C15H22N8O/c1-11-9-13(23-7-3-4-8-23)19-15(18-11)17-6-5-16-14(24)12-10-22(2)21-20-12/h9-10H,3-8H2,1-2H3,(H,16,24)(H,17,18,19)
InChIKeyMWNQREBACCNPTO-UHFFFAOYSA-N
XLogP0.36
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-1-methyltriazole-4-carboxamide
CID 122295428
2-ethyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]butanamide
CID 121075133
4-acetyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122295005
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]naphthalene-1-carboxamide
CID 121075164
2,4-difluoro-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075195
3-fluoro-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075153
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-phenyltriazole-4-carboxamide
CID 122294345
2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 56700108
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]butanamide
CID 56700364
2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 50945981
1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]urea
CID 122294845
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122294344

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide (CID 122294919) is 1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide is Cc1cc(N2CCCC2)nc(NCCNC(=O)c2cn(C)nn2)n1.
What is the InChIKey of 1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide?
The InChIKey is MWNQREBACCNPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O/c1-11-9-13(23-7-3-4-8-23)19-15(18-11)17-6-5-16-14(24)12-10-22(2)21-20-12/h9-10H,3-8H2,1-2H3,(H,16,24)(H,17,18,19).
What are the key properties of 1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide?
1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 122294919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).