N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide

C6H9F2N5O — CID 114383362

IUPACN-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cn[nH]n1
InChIInChI=1S/C6H9F2N5O/c7-6(8,2-9)3-10-5(14)4-1-11-13-12-4/h1H,2-3,9H2,(H,10,14)(H,11,12,13)
InChIKeyYXXHXVLMXPUMBU-UHFFFAOYSA-N
MW205.17 g/mol
LogP-0.87
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide

N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide (PubChem CID 114383362) has the molecular formula C6H9F2N5O and a molecular weight of 205.17 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide
PubChem CID114383362
Molecular FormulaC6H9F2N5O
Molecular Weight205.17 g/mol
Exact Mass205.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cn[nH]n1
InChIInChI=1S/C6H9F2N5O/c7-6(8,2-9)3-10-5(14)4-1-11-13-12-4/h1H,2-3,9H2,(H,10,14)(H,11,12,13)
InChIKeyYXXHXVLMXPUMBU-UHFFFAOYSA-N
XLogP-0.87
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide (CID 114383362) is N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide is NCC(F)(F)CNC(=O)c1cn[nH]n1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide?
The InChIKey is YXXHXVLMXPUMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N5O/c7-6(8,2-9)3-10-5(14)4-1-11-13-12-4/h1H,2-3,9H2,(H,10,14)(H,11,12,13).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide?
N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide has a molecular weight of 205.17 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 114383362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).