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

C8H13N5O — CID 78973043

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ncn[nH]1)N1CCCC1
InChIInChI=1S/C8H13N5O/c14-8(13-3-1-2-4-13)9-5-7-10-6-11-12-7/h6H,1-5H2,(H,9,14)(H,10,11,12)
InChIKeyQQPLGWRMWRSGML-UHFFFAOYSA-N
MW195.23 g/mol
LogP0.11
Rot. Bonds2

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

N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 78973043) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID78973043
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ncn[nH]1)N1CCCC1
InChIInChI=1S/C8H13N5O/c14-8(13-3-1-2-4-13)9-5-7-10-6-11-12-7/h6H,1-5H2,(H,9,14)(H,10,11,12)
InChIKeyQQPLGWRMWRSGML-UHFFFAOYSA-N
XLogP0.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 121498296
2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 64525703
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 54885097
1-cyclobutyl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 116656324
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 103912454
2-[4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 64523130
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
(3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 95509747
1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 65463843
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 166235016
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60977964

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide (CID 78973043) is N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCc1ncn[nH]1)N1CCCC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is QQPLGWRMWRSGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c14-8(13-3-1-2-4-13)9-5-7-10-6-11-12-7/h6H,1-5H2,(H,9,14)(H,10,11,12).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 195.23 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 78973043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).