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

C12H22N4 — CID 115769824

IUPAC1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCCCC(NCc1nncn1CC)C1CC1
InChIInChI=1S/C12H22N4/c1-3-5-11(10-6-7-10)13-8-12-15-14-9-16(12)4-2/h9-11,13H,3-8H2,1-2H3
InChIKeyHACUAEOQDDZFLZ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.97
Rot. Bonds7

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

1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine (PubChem CID 115769824) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
PubChem CID115769824
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCCCC(NCc1nncn1CC)C1CC1
InChIInChI=1S/C12H22N4/c1-3-5-11(10-6-7-10)13-8-12-15-14-9-16(12)4-2/h9-11,13H,3-8H2,1-2H3
InChIKeyHACUAEOQDDZFLZ-UHFFFAOYSA-N
XLogP1.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine (CID 115769824) is 1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine is CCCC(NCc1nncn1CC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The InChIKey is HACUAEOQDDZFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-5-11(10-6-7-10)13-8-12-15-14-9-16(12)4-2/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 115769824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).