3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide

C10H15N5O — CID 146082322

IUPAC3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C10H15N5O/c11-10(16)14-4-3-8(5-14)15-6-9(12-13-15)7-1-2-7/h6-8H,1-5H2,(H2,11,16)
InChIKeyXZOTWZMFHCSBQZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.48
Rot. Bonds2

About 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide

3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 146082322) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
PubChem CID146082322
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C10H15N5O/c11-10(16)14-4-3-8(5-14)15-6-9(12-13-15)7-1-2-7/h6-8H,1-5H2,(H2,11,16)
InChIKeyXZOTWZMFHCSBQZ-UHFFFAOYSA-N
XLogP0.48
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121021120
cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 121190670
[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129354702
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
(4-tert-butylphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190591
4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 121190686
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589
N-[4-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124892607
[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 124892507
(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 124761305
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 121190540

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide (CID 146082322) is 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide is NC(=O)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is XZOTWZMFHCSBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c11-10(16)14-4-3-8(5-14)15-6-9(12-13-15)7-1-2-7/h6-8H,1-5H2,(H2,11,16).
What are the key properties of 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide?
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146082322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).