1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C13H14N6 — CID 83093025

IUPAC1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1ccc(-n2ccc(CNCc3ncn[nH]3)n2)cc1
InChIInChI=1S/C13H14N6/c1-2-4-12(5-3-1)19-7-6-11(18-19)8-14-9-13-15-10-16-17-13/h1-7,10,14H,8-9H2,(H,15,16,17)
InChIKeyUVSDMWMPMKVTKC-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.28
Rot. Bonds5

About 1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 83093025) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID83093025
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1ccc(-n2ccc(CNCc3ncn[nH]3)n2)cc1
InChIInChI=1S/C13H14N6/c1-2-4-12(5-3-1)19-7-6-11(18-19)8-14-9-13-15-10-16-17-13/h1-7,10,14H,8-9H2,(H,15,16,17)
InChIKeyUVSDMWMPMKVTKC-UHFFFAOYSA-N
XLogP1.28
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 78922115
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979174
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 62887436
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 103908833
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615905
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 62885165
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258
4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 55127369
6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol
CID 79783648
2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 63332874
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 62887093

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 83093025) is 1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is c1ccc(-n2ccc(CNCc3ncn[nH]3)n2)cc1.
What is the InChIKey of 1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is UVSDMWMPMKVTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-2-4-12(5-3-1)19-7-6-11(18-19)8-14-9-13-15-10-16-17-13/h1-7,10,14H,8-9H2,(H,15,16,17).
What are the key properties of 1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine has a molecular weight of 254.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 83093025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).