2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde

C11H18N4O — CID 163868436

IUPAC2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde
SMILESCCCN(CC)c1nc(C=O)n(C2CC2)n1
InChIInChI=1S/C11H18N4O/c1-3-7-14(4-2)11-12-10(8-16)15(13-11)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyPIROZKFJIARZDK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.66
Rot. Bonds6

About 2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde

2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde (PubChem CID 163868436) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde
PubChem CID163868436
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde
SMILESCCCN(CC)c1nc(C=O)n(C2CC2)n1
InChIInChI=1S/C11H18N4O/c1-3-7-14(4-2)11-12-10(8-16)15(13-11)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyPIROZKFJIARZDK-UHFFFAOYSA-N
XLogP1.66
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde (CID 163868436) is 2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde is CCCN(CC)c1nc(C=O)n(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde?
The InChIKey is PIROZKFJIARZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-7-14(4-2)11-12-10(8-16)15(13-11)9-5-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde?
2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde has a molecular weight of 222.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[ethyl(propyl)amino]-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 163868436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).