N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H14F3N5O — CID 64531939

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)9(2-4-14-5-9)8(19)15-3-1-7-16-6-17-18-7/h6,14H,1-5H2,(H,15,19)(H,16,17,18)
InChIKeyAXZNYINJTWNQLA-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.01
Rot. Bonds4

About N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 64531939) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID64531939
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)9(2-4-14-5-9)8(19)15-3-1-7-16-6-17-18-7/h6,14H,1-5H2,(H,15,19)(H,16,17,18)
InChIKeyAXZNYINJTWNQLA-UHFFFAOYSA-N
XLogP0.01
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 64531939) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCCc1ncn[nH]1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is AXZNYINJTWNQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c11-10(12,13)9(2-4-14-5-9)8(19)15-3-1-7-16-6-17-18-7/h6,14H,1-5H2,(H,15,19)(H,16,17,18).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 64531939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).