(1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine

C13H14N6 — CID 115289456

IUPAC(1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1cc(C(N)c2nncn2-c2ccccc2)cn1
InChIInChI=1S/C13H14N6/c1-18-8-10(7-16-18)12(14)13-17-15-9-19(13)11-5-3-2-4-6-11/h2-9,12H,14H2,1H3
InChIKeyVWQXSRMMJXNVLF-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.05
Rot. Bonds3

About (1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine

(1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 115289456) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine
PubChem CID115289456
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name(1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1cc(C(N)c2nncn2-c2ccccc2)cn1
InChIInChI=1S/C13H14N6/c1-18-8-10(7-16-18)12(14)13-17-15-9-19(13)11-5-3-2-4-6-11/h2-9,12H,14H2,1H3
InChIKeyVWQXSRMMJXNVLF-UHFFFAOYSA-N
XLogP1.05
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 94554781
3-pentan-3-yl-4-phenyl-1,2,4-triazole
CID 115393369
1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62709915
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 65200249
4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 104905997
(2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115808803
(S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine
CID 94552562
(1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine
CID 61149466
[(1-methylpyrazol-4-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine
CID 107332407
(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115289444
1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine
CID 62709739

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine (CID 115289456) is (1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine is Cn1cc(C(N)c2nncn2-c2ccccc2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is VWQXSRMMJXNVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-18-8-10(7-16-18)12(14)13-17-15-9-19(13)11-5-3-2-4-6-11/h2-9,12H,14H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine?
(1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 254.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 115289456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).