1-cyclopropyl-5-propyltriazole-4-carboxamide

C9H14N4O — CID 150566699

IUPAC1-cyclopropyl-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(N)=O)nnn1C1CC1
InChIInChI=1S/C9H14N4O/c1-2-3-7-8(9(10)14)11-12-13(7)6-4-5-6/h6H,2-5H2,1H3,(H2,10,14)
InChIKeyIKZFMWBQTNEJRG-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.66
Rot. Bonds4

About 1-cyclopropyl-5-propyltriazole-4-carboxamide

1-cyclopropyl-5-propyltriazole-4-carboxamide (PubChem CID 150566699) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-cyclopropyl-5-propyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-5-propyltriazole-4-carboxamide
PubChem CID150566699
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-cyclopropyl-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(N)=O)nnn1C1CC1
InChIInChI=1S/C9H14N4O/c1-2-3-7-8(9(10)14)11-12-13(7)6-4-5-6/h6H,2-5H2,1H3,(H2,10,14)
InChIKeyIKZFMWBQTNEJRG-UHFFFAOYSA-N
XLogP0.66
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(1,1-dioxothiolan-3-yl)-5-propyltriazole-4-carboxylate
CID 103113559
5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid
CID 103121955
1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid
CID 62056126
ethyl 5-(aminomethyl)-1-(oxan-4-yl)triazole-4-carboxylate
CID 103111751
methyl 5-(2-aminoethyl)-1-(1,1-dioxothiolan-3-yl)triazole-4-carboxylate
CID 103118293
methyl 1-cycloheptyl-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate
CID 102643181
5-(2-aminoethyl)-1-(3,5-dimethylcyclohexyl)triazole-4-carboxylic acid
CID 103118782
methyl 1-cyclohexyl-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate
CID 102643110
ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate
CID 79318019
1-(3,4-dimethylcyclohexyl)-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102646076
ethyl 1,5-dipropyltriazole-4-carboxylate
CID 103106241
1-heptyl-5-propyltriazole-4-carboxylic acid
CID 62055253

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-propyltriazole-4-carboxamide?
The IUPAC name of 1-cyclopropyl-5-propyltriazole-4-carboxamide (CID 150566699) is 1-cyclopropyl-5-propyltriazole-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-5-propyltriazole-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-5-propyltriazole-4-carboxamide is CCCc1c(C(N)=O)nnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-propyltriazole-4-carboxamide?
The InChIKey is IKZFMWBQTNEJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-3-7-8(9(10)14)11-12-13(7)6-4-5-6/h6H,2-5H2,1H3,(H2,10,14).
What are the key properties of 1-cyclopropyl-5-propyltriazole-4-carboxamide?
1-cyclopropyl-5-propyltriazole-4-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-propyltriazole-4-carboxamide is sourced from PubChem (CID 150566699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).