1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C14H16N6 — CID 60979043

IUPAC1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1ccc(Cn2cc(CNCc3ncn[nH]3)cn2)cc1
InChIInChI=1S/C14H16N6/c1-2-4-12(5-3-1)9-20-10-13(7-18-20)6-15-8-14-16-11-17-19-14/h1-5,7,10-11,15H,6,8-9H2,(H,16,17,19)
InChIKeyMTCGCPISVSVJII-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.34
Rot. Bonds6

About 1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 60979043) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID60979043
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1ccc(Cn2cc(CNCc3ncn[nH]3)cn2)cc1
InChIInChI=1S/C14H16N6/c1-2-4-12(5-3-1)9-20-10-13(7-18-20)6-15-8-14-16-11-17-19-14/h1-5,7,10-11,15H,6,8-9H2,(H,16,17,19)
InChIKeyMTCGCPISVSVJII-UHFFFAOYSA-N
XLogP1.34
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)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-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415339
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 122198913
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
3-[(1-benzylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857456
2-(4-benzylpiperazin-1-yl)-N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 167753806
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
N-[(1-benzylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79037268

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 60979043) is 1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is c1ccc(Cn2cc(CNCc3ncn[nH]3)cn2)cc1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is MTCGCPISVSVJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-2-4-12(5-3-1)9-20-10-13(7-18-20)6-15-8-14-16-11-17-19-14/h1-5,7,10-11,15H,6,8-9H2,(H,16,17,19).
What are the key properties of 1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine has a molecular weight of 268.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 60979043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).