1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C12H19N7 — CID 136905500

IUPAC1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1cc2n(n1)C[C@H](CNCc1nncn1C)CN2
InChIInChI=1S/C12H19N7/c1-9-3-11-14-5-10(7-19(11)17-9)4-13-6-12-16-15-8-18(12)2/h3,8,10,13-14H,4-7H2,1-2H3/t10-/m1/s1
InChIKeyCBWQUPFIZBJKHG-SNVBAGLBSA-N
MW261.33 g/mol
LogP0.15
Rot. Bonds4

About 1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 136905500) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID136905500
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1cc2n(n1)C[C@H](CNCc1nncn1C)CN2
InChIInChI=1S/C12H19N7/c1-9-3-11-14-5-10(7-19(11)17-9)4-13-6-12-16-15-8-18(12)2/h3,8,10,13-14H,4-7H2,1-2H3/t10-/m1/s1
InChIKeyCBWQUPFIZBJKHG-SNVBAGLBSA-N
XLogP0.15
TPSA72.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905195
N-[(2-methoxy-4-pyridinyl)methyl]-1-[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905217
1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine
CID 136877397
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136769193
(2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine
CID 136905119
N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine
CID 136905240
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136716924
1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
CID 136718045
(1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol
CID 136857245
(1R)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol
CID 136857243
(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
CID 136905643
1-[3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenyl]pyrrolidin-2-one
CID 136716908

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 136905500) is 1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cc1cc2n(n1)C[C@H](CNCc1nncn1C)CN2.
What is the InChIKey of 1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is CBWQUPFIZBJKHG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N7/c1-9-3-11-14-5-10(7-19(11)17-9)4-13-6-12-16-15-8-18(12)2/h3,8,10,13-14H,4-7H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 261.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 136905500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).