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

C11H17N7 — CID 136905195

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCn1cnnc1CNC[C@H]1CNc2ccnn2C1
InChIInChI=1S/C11H17N7/c1-17-8-14-16-11(17)6-12-4-9-5-13-10-2-3-15-18(10)7-9/h2-3,8-9,12-13H,4-7H2,1H3/t9-/m0/s1
InChIKeyYVWXRMVUGUZNLH-VIFPVBQESA-N
MW247.31 g/mol
LogP-0.16
Rot. Bonds4

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 136905195) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID136905195
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCn1cnnc1CNC[C@H]1CNc2ccnn2C1
InChIInChI=1S/C11H17N7/c1-17-8-14-16-11(17)6-12-4-9-5-13-10-2-3-15-18(10)7-9/h2-3,8-9,12-13H,4-7H2,1H3/t9-/m0/s1
InChIKeyYVWXRMVUGUZNLH-VIFPVBQESA-N
XLogP-0.16
TPSA72.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-(1-methylpyrazol-4-yl)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905121
1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
CID 137225330
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136755501
(1S)-N,N-dimethyl-1-(4-methylphenyl)-N'-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethane-1,2-diamine
CID 136905334
3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine
CID 136905548
N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905287
2-(4-pyrazol-1-ylphenyl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905556
1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 106025646
(2S)-2-[(4-fluorophenyl)methyl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
CID 136905250
2-fluoro-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethylamino)ethyl]benzamide
CID 154775783
(4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905513

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of 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) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine is Cn1cnnc1CNC[C@H]1CNc2ccnn2C1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is YVWXRMVUGUZNLH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N7/c1-17-8-14-16-11(17)6-12-4-9-5-13-10-2-3-15-18(10)7-9/h2-3,8-9,12-13H,4-7H2,1H3/t9-/m0/s1.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 247.31 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 136905195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).