2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine

C13H18N4 — CID 63274880

IUPAC2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine
SMILESCCCc1nc(N)n(Cc2cccc(C)c2)n1
InChIInChI=1S/C13H18N4/c1-3-5-12-15-13(14)17(16-12)9-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9H2,1-2H3,(H2,14,15,16)
InChIKeyKJOFWTUFRRVSQF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.17
Rot. Bonds4

About 2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine

2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine (PubChem CID 63274880) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine
PubChem CID63274880
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine
SMILESCCCc1nc(N)n(Cc2cccc(C)c2)n1
InChIInChI=1S/C13H18N4/c1-3-5-12-15-13(14)17(16-12)9-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9H2,1-2H3,(H2,14,15,16)
InChIKeyKJOFWTUFRRVSQF-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 62677338
5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66304585
N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine
CID 62737831
1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320242
furan;1-methyl-3-propylbenzene
CID 90871497
2-[(3-chlorophenyl)methyl]-5-ethoxy-1,2,4-triazol-3-amine
CID 79872536
1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62730775
5-amino-1,3-bis[(3-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100765635
1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79297502
5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 62679998
5-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 83241528
5-(ethoxymethyl)-1-[(3-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazole
CID 72893683

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine (CID 63274880) is 2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine is CCCc1nc(N)n(Cc2cccc(C)c2)n1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine?
The InChIKey is KJOFWTUFRRVSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-5-12-15-13(14)17(16-12)9-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine?
2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 63274880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).