N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H14F3N5O — CID 64516900

IUPACN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H14F3N5O/c1-18(4-7-15-6-16-17-7)8(19)9(10(11,12)13)2-3-14-5-9/h6,14H,2-5H2,1H3,(H,15,16,17)
InChIKeyALSPQKUSXTYVNI-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.31
Rot. Bonds3

About N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 64516900) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID64516900
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H14F3N5O/c1-18(4-7-15-6-16-17-7)8(19)9(10(11,12)13)2-3-14-5-9/h6,14H,2-5H2,1H3,(H,15,16,17)
InChIKeyALSPQKUSXTYVNI-UHFFFAOYSA-N
XLogP0.31
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 64516900) is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(Cc1ncn[nH]1)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ALSPQKUSXTYVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-18(4-7-15-6-16-17-7)8(19)9(10(11,12)13)2-3-14-5-9/h6,14H,2-5H2,1H3,(H,15,16,17).
What are the key properties of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 64516900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).