2-(3-fluoropropyl)triazole-4-carboxamide

C6H9FN4O — CID 175864424

IUPAC2-(3-fluoropropyl)triazole-4-carboxamide
SMILESNC(=O)c1cnn(CCCF)n1
InChIInChI=1S/C6H9FN4O/c7-2-1-3-11-9-4-5(10-11)6(8)12/h4H,1-3H2,(H2,8,12)
InChIKeyHCQRFWAAERFZLP-UHFFFAOYSA-N
MW172.16 g/mol
LogP-0.26
Rot. Bonds4

About 2-(3-fluoropropyl)triazole-4-carboxamide

2-(3-fluoropropyl)triazole-4-carboxamide (PubChem CID 175864424) has the molecular formula C6H9FN4O and a molecular weight of 172.16 g/mol. Its IUPAC name is 2-(3-fluoropropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoropropyl)triazole-4-carboxamide
PubChem CID175864424
Molecular FormulaC6H9FN4O
Molecular Weight172.16 g/mol
Exact Mass172.08
IUPAC Name2-(3-fluoropropyl)triazole-4-carboxamide
SMILESNC(=O)c1cnn(CCCF)n1
InChIInChI=1S/C6H9FN4O/c7-2-1-3-11-9-4-5(10-11)6(8)12/h4H,1-3H2,(H2,8,12)
InChIKeyHCQRFWAAERFZLP-UHFFFAOYSA-N
XLogP-0.26
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)triazole-4-carboxamide?
The IUPAC name of 2-(3-fluoropropyl)triazole-4-carboxamide (CID 175864424) is 2-(3-fluoropropyl)triazole-4-carboxamide.
What is the SMILES notation for 2-(3-fluoropropyl)triazole-4-carboxamide?
The canonical SMILES for 2-(3-fluoropropyl)triazole-4-carboxamide is NC(=O)c1cnn(CCCF)n1.
What is the InChIKey of 2-(3-fluoropropyl)triazole-4-carboxamide?
The InChIKey is HCQRFWAAERFZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O/c7-2-1-3-11-9-4-5(10-11)6(8)12/h4H,1-3H2,(H2,8,12).
What are the key properties of 2-(3-fluoropropyl)triazole-4-carboxamide?
2-(3-fluoropropyl)triazole-4-carboxamide has a molecular weight of 172.16 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)triazole-4-carboxamide is sourced from PubChem (CID 175864424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).