(3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide

C9H15N5O — CID 91911182

IUPAC(3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CNC[C@H]1c1n[nH]c(C)n1
InChIInChI=1S/C9H15N5O/c1-5-12-8(14-13-5)6-3-11-4-7(6)9(15)10-2/h6-7,11H,3-4H2,1-2H3,(H,10,15)(H,12,13,14)/t6-,7-/m1/s1
InChIKeyKWXISSMLCKERES-RNFRBKRXSA-N
MW209.25 g/mol
LogP-0.84
Rot. Bonds2

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

(3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide (PubChem CID 91911182) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
PubChem CID91911182
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CNC[C@H]1c1n[nH]c(C)n1
InChIInChI=1S/C9H15N5O/c1-5-12-8(14-13-5)6-3-11-4-7(6)9(15)10-2/h6-7,11H,3-4H2,1-2H3,(H,10,15)(H,12,13,14)/t6-,7-/m1/s1
InChIKeyKWXISSMLCKERES-RNFRBKRXSA-N
XLogP-0.84
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide (CID 91911182) is (3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CNC[C@H]1c1n[nH]c(C)n1.
What is the InChIKey of (3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is KWXISSMLCKERES-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H15N5O/c1-5-12-8(14-13-5)6-3-11-4-7(6)9(15)10-2/h6-7,11H,3-4H2,1-2H3,(H,10,15)(H,12,13,14)/t6-,7-/m1/s1.
What are the key properties of (3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
(3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91911182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).