(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide

C9H15N5O — CID 61164033

IUPAC(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1cnnc1CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H15N5O/c1-14-6-12-13-8(14)5-11-9(15)7-3-2-4-10-7/h6-7,10H,2-5H2,1H3,(H,11,15)/t7-/m0/s1
InChIKeySSLSLCKWCRARCP-ZETCQYMHSA-N
MW209.25 g/mol
LogP-0.82
Rot. Bonds3

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

(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 61164033) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID61164033
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1cnnc1CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H15N5O/c1-14-6-12-13-8(14)5-11-9(15)7-3-2-4-10-7/h6-7,10H,2-5H2,1H3,(H,11,15)/t7-/m0/s1
InChIKeySSLSLCKWCRARCP-ZETCQYMHSA-N
XLogP-0.82
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61004222
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54896049
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide
CID 62117188
N-[(1-methylimidazol-2-yl)methyl]piperidine-2-carboxamide
CID 63293631
N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide
CID 64568957
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 79236153
2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 82237375
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983059
(2S)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119725181
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
CID 43706300

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 61164033) is (2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide is Cn1cnnc1CNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is SSLSLCKWCRARCP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N5O/c1-14-6-12-13-8(14)5-11-9(15)7-3-2-4-10-7/h6-7,10H,2-5H2,1H3,(H,11,15)/t7-/m0/s1.
What are the key properties of (2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61164033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).