2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine

C14H20N4 — CID 62446622

IUPAC2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(Cn2cncn2)c1
InChIInChI=1S/C14H20N4/c1-14(2,3)16-8-12-5-4-6-13(7-12)9-18-11-15-10-17-18/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyVLFPXECNXFPLNZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.21
Rot. Bonds4

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

2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine (PubChem CID 62446622) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
PubChem CID62446622
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(Cn2cncn2)c1
InChIInChI=1S/C14H20N4/c1-14(2,3)16-8-12-5-4-6-13(7-12)9-18-11-15-10-17-18/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyVLFPXECNXFPLNZ-UHFFFAOYSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine (CID 62446622) is 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine is CC(C)(C)NCc1cccc(Cn2cncn2)c1.
What is the InChIKey of 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine?
The InChIKey is VLFPXECNXFPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(2,3)16-8-12-5-4-6-13(7-12)9-18-11-15-10-17-18/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62446622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).