N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide

C6H9FN4O — CID 130921738

IUPACN-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide
SMILESCC(CF)NC(=O)c1cn[nH]n1
InChIInChI=1S/C6H9FN4O/c1-4(2-7)9-6(12)5-3-8-11-10-5/h3-4H,2H2,1H3,(H,9,12)(H,8,10,11)
InChIKeyGORQBDASZYZANW-UHFFFAOYSA-N
MW172.16 g/mol
LogP-0.11
Rot. Bonds3

About N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide

N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide (PubChem CID 130921738) has the molecular formula C6H9FN4O and a molecular weight of 172.16 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide
PubChem CID130921738
Molecular FormulaC6H9FN4O
Molecular Weight172.16 g/mol
Exact Mass172.08
IUPAC NameN-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide
SMILESCC(CF)NC(=O)c1cn[nH]n1
InChIInChI=1S/C6H9FN4O/c1-4(2-7)9-6(12)5-3-8-11-10-5/h3-4H,2H2,1H3,(H,9,12)(H,8,10,11)
InChIKeyGORQBDASZYZANW-UHFFFAOYSA-N
XLogP-0.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 53678135
N-ethyl-1H-1,2,3-triazole-4-carboxamide
CID 53950134
N'-propan-2-yl-2H-triazole-4-carbohydrazide
CID 90679864
1-(2-aminoethyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide hydrochloride
CID 165941891
N-((1H-1,2,3-Triazol-5-yl)methyl)acetamide
CID 58815478
N-allyl-1,2,3-triazole-4-carboxamide
CID 61069642
Piperazinyl(1h-1,2,3-triazol-4-yl)methanone
CID 62047765
N-[(1-ethylpyrrolidin-2-yl)methyl]-2H-triazole-4-carboxamide
CID 53527241
N-(3-isopropoxypropyl)-1H-1,2,3-triazole-5-carboxamide
CID 91624323
3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide
CID 126770697
N-(trifluoromethyl)-2H-triazole-4-carboxamide
CID 69627948
N-cyclopropyl-1H-1,2,3-triazole-5-carboxamide
CID 61069826

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide (CID 130921738) is N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide is CC(CF)NC(=O)c1cn[nH]n1.
What is the InChIKey of N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide?
The InChIKey is GORQBDASZYZANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O/c1-4(2-7)9-6(12)5-3-8-11-10-5/h3-4H,2H2,1H3,(H,9,12)(H,8,10,11).
What are the key properties of N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide?
N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide has a molecular weight of 172.16 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 130921738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).