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

C8H13N5O — CID 60982528

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CCCN1
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)
InChIKeyHOXNWSZGDRMQRI-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.83
Rot. Bonds3

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

N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 60982528) 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-2-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID60982528
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CCCN1
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)
InChIKeyHOXNWSZGDRMQRI-UHFFFAOYSA-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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Related Compounds

N-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
N-cyclopentyl-1H-1,2,4-triazole-3-carboxamide
CID 847898
US9346814, Cmpd No 37 Example 42
CID 89704955
(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-1-methyl-N-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 56712691
N-Cyclododecyl-1H-1,2,4-triazole-3-carboxamide
CID 602855
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 53522435
(2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide
CID 124756487
(5S)-5-[2-(1-tert-butyl-1H-1,2,4-triazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 131920687
(3S)-1-tert-butyl-3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]pyrrolidin-2-one
CID 164638207
N-cycloheptyl-1H-1,2,4-triazole-3-carboxamide
CID 1500057
N-((1r,4r)-4-aminocyclohexyl)-4H-1,2,4-triazole-3-carboxamide
CID 71276489
N-(1-(4-aminobutanoyl)piperidin-4-yl)-4H-1,2,4-triazole-3-carboxamide
CID 118946460

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 60982528) is N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ncn[nH]1)C1CCCN1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is HOXNWSZGDRMQRI-UHFFFAOYSA-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).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
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 N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60982528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).