1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine

C14H16N6 — CID 106577158

IUPAC1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine
SMILESCn1cnc(CCn2ccnc2Nc2ccccc2)n1
InChIInChI=1S/C14H16N6/c1-19-11-16-13(18-19)7-9-20-10-8-15-14(20)17-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H,15,17)
InChIKeyBNDJNSMBYWEQET-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.00
Rot. Bonds5

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

1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine (PubChem CID 106577158) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine
PubChem CID106577158
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine
SMILESCn1cnc(CCn2ccnc2Nc2ccccc2)n1
InChIInChI=1S/C14H16N6/c1-19-11-16-13(18-19)7-9-20-10-8-15-14(20)17-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H,15,17)
InChIKeyBNDJNSMBYWEQET-UHFFFAOYSA-N
XLogP2.00
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine?
The IUPAC name of 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine (CID 106577158) is 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine?
The canonical SMILES for 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine is Cn1cnc(CCn2ccnc2Nc2ccccc2)n1.
What is the InChIKey of 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine?
The InChIKey is BNDJNSMBYWEQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-19-11-16-13(18-19)7-9-20-10-8-15-14(20)17-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H,15,17).
What are the key properties of 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine?
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine is sourced from PubChem (CID 106577158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).