4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline

C10H12N4 — CID 61360412

IUPAC4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
SMILESCc1ccc(NCc2ncn[nH]2)cc1
InChIInChI=1S/C10H12N4/c1-8-2-4-9(5-3-8)11-6-10-12-7-13-14-10/h2-5,7,11H,6H2,1H3,(H,12,13,14)
InChIKeyLVSQWVYIMMIQGX-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.73
Rot. Bonds3

About 4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline

4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline (PubChem CID 61360412) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
PubChem CID61360412
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
SMILESCc1ccc(NCc2ncn[nH]2)cc1
InChIInChI=1S/C10H12N4/c1-8-2-4-9(5-3-8)11-6-10-12-7-13-14-10/h2-5,7,11H,6H2,1H3,(H,12,13,14)
InChIKeyLVSQWVYIMMIQGX-UHFFFAOYSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine
CID 62022406
4-(difluoromethylsulfonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
CID 54884844
5-methyl-2-(1H-1,2,4-triazol-5-ylmethylamino)benzonitrile
CID 107931259
2-propan-2-yloxy-4-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,4-diamine
CID 83001895
2-methyl-1-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,4-diamine
CID 64546108
5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine
CID 106193127
N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 61253577
2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 61113449
5-fluoro-3-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,3-diamine
CID 64546495
2-[(4-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884995
2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine
CID 64546102
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline?
The IUPAC name of 4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline (CID 61360412) is 4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline.
What is the SMILES notation for 4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline?
The canonical SMILES for 4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline is Cc1ccc(NCc2ncn[nH]2)cc1.
What is the InChIKey of 4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline?
The InChIKey is LVSQWVYIMMIQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8-2-4-9(5-3-8)11-6-10-12-7-13-14-10/h2-5,7,11H,6H2,1H3,(H,12,13,14).
What are the key properties of 4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline?
4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline has a molecular weight of 188.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline is sourced from PubChem (CID 61360412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).