2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine

C7H12N4 — CID 50988420

IUPAC2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine
SMILESNCCc1nncn1C1CC1
InChIInChI=1S/C7H12N4/c8-4-3-7-10-9-5-11(7)6-1-2-6/h5-6H,1-4,8H2
InChIKeyMSQSNZKVWZTSDJ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.11
Rot. Bonds3

About 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine

2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 50988420) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID50988420
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine
SMILESNCCc1nncn1C1CC1
InChIInChI=1S/C7H12N4/c8-4-3-7-10-9-5-11(7)6-1-2-6/h5-6H,1-4,8H2
InChIKeyMSQSNZKVWZTSDJ-UHFFFAOYSA-N
XLogP0.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine (CID 50988420) is 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine is NCCc1nncn1C1CC1.
What is the InChIKey of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is MSQSNZKVWZTSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c8-4-3-7-10-9-5-11(7)6-1-2-6/h5-6H,1-4,8H2.
What are the key properties of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine?
2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 152.20 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 50988420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).