N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide

C7H11FN4O — CID 131019688

IUPACN-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCF)nnn1C
InChIInChI=1S/C7H11FN4O/c1-5-6(10-11-12(5)2)7(13)9-4-3-8/h3-4H2,1-2H3,(H,9,13)
InChIKeyJCHDJDLMMQECPT-UHFFFAOYSA-N
MW186.19 g/mol
LogP-0.18
Rot. Bonds3

About N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide

N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide (PubChem CID 131019688) has the molecular formula C7H11FN4O and a molecular weight of 186.19 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide
PubChem CID131019688
Molecular FormulaC7H11FN4O
Molecular Weight186.19 g/mol
Exact Mass186.09
IUPAC NameN-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCF)nnn1C
InChIInChI=1S/C7H11FN4O/c1-5-6(10-11-12(5)2)7(13)9-4-3-8/h3-4H2,1-2H3,(H,9,13)
InChIKeyJCHDJDLMMQECPT-UHFFFAOYSA-N
XLogP-0.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide (CID 131019688) is N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide is Cc1c(C(=O)NCCF)nnn1C.
What is the InChIKey of N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide?
The InChIKey is JCHDJDLMMQECPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O/c1-5-6(10-11-12(5)2)7(13)9-4-3-8/h3-4H2,1-2H3,(H,9,13).
What are the key properties of N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide?
N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide has a molecular weight of 186.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1,5-dimethyltriazole-4-carboxamide is sourced from PubChem (CID 131019688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).