(2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide

C8H13N5O — CID 61163836

IUPAC(2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C8H13N5O/c14-8(6-2-1-3-9-6)10-4-7-11-5-12-13-7/h5-6,9H,1-4H2,(H,10,14)(H,11,12,13)/t6-/m0/s1
InChIKeyHOXNWSZGDRMQRI-LURJTMIESA-N
MW195.23 g/mol
LogP-0.83
Rot. Bonds3

About (2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 61163836) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is (2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID61163836
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name(2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C8H13N5O/c14-8(6-2-1-3-9-6)10-4-7-11-5-12-13-7/h5-6,9H,1-4H2,(H,10,14)(H,11,12,13)/t6-/m0/s1
InChIKeyHOXNWSZGDRMQRI-LURJTMIESA-N
XLogP-0.83
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 61163836) is (2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ncn[nH]1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is HOXNWSZGDRMQRI-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N5O/c14-8(6-2-1-3-9-6)10-4-7-11-5-12-13-7/h5-6,9H,1-4H2,(H,10,14)(H,11,12,13)/t6-/m0/s1.
What are the key properties of (2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 195.23 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61163836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).