2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine

C14H20N4 — CID 107447443

IUPAC2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
SMILESCc1cccc(-n2ncnc2CNCC(C)C)c1
InChIInChI=1S/C14H20N4/c1-11(2)8-15-9-14-16-10-17-18(14)13-6-4-5-12(3)7-13/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyHJXBONNJLWOLRB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.32
Rot. Bonds5

About 2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine

2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine (PubChem CID 107447443) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
PubChem CID107447443
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
SMILESCc1cccc(-n2ncnc2CNCC(C)C)c1
InChIInChI=1S/C14H20N4/c1-11(2)8-15-9-14-16-10-17-18(14)13-6-4-5-12(3)7-13/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyHJXBONNJLWOLRB-UHFFFAOYSA-N
XLogP2.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine (CID 107447443) is 2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine is Cc1cccc(-n2ncnc2CNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The InChIKey is HJXBONNJLWOLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(2)8-15-9-14-16-10-17-18(14)13-6-4-5-12(3)7-13/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 107447443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).