1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde

C10H14N4O — CID 90016822

IUPAC1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde
SMILESO=Cc1nc(N2CCCC2)n(C2CC2)n1
InChIInChI=1S/C10H14N4O/c15-7-9-11-10(13-5-1-2-6-13)14(12-9)8-3-4-8/h7-8H,1-6H2
InChIKeyFZFCVDCQUFMRJT-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.03
Rot. Bonds3

About 1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde

1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde (PubChem CID 90016822) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde
PubChem CID90016822
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde
SMILESO=Cc1nc(N2CCCC2)n(C2CC2)n1
InChIInChI=1S/C10H14N4O/c15-7-9-11-10(13-5-1-2-6-13)14(12-9)8-3-4-8/h7-8H,1-6H2
InChIKeyFZFCVDCQUFMRJT-UHFFFAOYSA-N
XLogP1.03
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-4H-1,2,4-triazole-3-carbaldehyde
CID 83872252
3-(pyrrolidin-1-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carbaldehyde
CID 90016405
2-(2,2-Difluoroethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde
CID 90017694
3-(3,3-Difluoropyrrolidin-1-yl)-1-methyl-1H-1,2,4-triazole-5-carbaldehyde
CID 90026716
6,7-Dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carbaldehyde
CID 82418572
1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazole-5-carbaldehyde
CID 83875440
5-(Diethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde
CID 83876126
2-Ethyl-5-pyrrolidin-1-yl-2H-[1,2,4]triazole-3-carbaldehyde
CID 90016903
2-Cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde
CID 90016992
1-methyl-3-(2-methylpyrrolidin-1-yl)-1H-1,2,4-triazole-5-carbaldehyde
CID 90017041
1-(Cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde
CID 90017286
1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazole-3-carbaldehyde
CID 90017874

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde (CID 90016822) is 1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde is O=Cc1nc(N2CCCC2)n(C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde?
The InChIKey is FZFCVDCQUFMRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c15-7-9-11-10(13-5-1-2-6-13)14(12-9)8-3-4-8/h7-8H,1-6H2.
What are the key properties of 1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde?
1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde has a molecular weight of 206.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 90016822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).