1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde

C11H16N4O — CID 90017286

IUPAC1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde
SMILESO=Cc1nc(N2CCCC2)n(CC2CC2)n1
InChIInChI=1S/C11H16N4O/c16-8-10-12-11(14-5-1-2-6-14)15(13-10)7-9-3-4-9/h8-9H,1-7H2
InChIKeyZCNHYZOLKSCCKO-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.10
Rot. Bonds4

About 1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde

1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde (PubChem CID 90017286) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde
PubChem CID90017286
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde
SMILESO=Cc1nc(N2CCCC2)n(CC2CC2)n1
InChIInChI=1S/C11H16N4O/c16-8-10-12-11(14-5-1-2-6-14)15(13-10)7-9-3-4-9/h8-9H,1-7H2
InChIKeyZCNHYZOLKSCCKO-UHFFFAOYSA-N
XLogP1.10
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.10
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 1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde (CID 90017286) is 1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde is O=Cc1nc(N2CCCC2)n(CC2CC2)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde?
The InChIKey is ZCNHYZOLKSCCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-8-10-12-11(14-5-1-2-6-14)15(13-10)7-9-3-4-9/h8-9H,1-7H2.
What are the key properties of 1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde?
1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde has a molecular weight of 220.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 90017286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).