(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone

C10H16N4O — CID 115686992

IUPAC(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C10H16N4O/c1-7(2)8-3-4-14(6-8)10(15)9-5-11-13-12-9/h5,7-8H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyKFWHEBVVYVVUBG-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.92
Rot. Bonds2

About (3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone

(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone (PubChem CID 115686992) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
PubChem CID115686992
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C10H16N4O/c1-7(2)8-3-4-14(6-8)10(15)9-5-11-13-12-9/h5,7-8H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyKFWHEBVVYVVUBG-UHFFFAOYSA-N
XLogP0.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 103975879
2-[1-(2H-triazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116681175
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935
[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 63282840
1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568004
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate
CID 95614884
N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 112733334
(2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone
CID 115661612
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of (3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone (CID 115686992) is (3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for (3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for (3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone is CC(C)C1CCN(C(=O)c2cn[nH]n2)C1.
What is the InChIKey of (3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is KFWHEBVVYVVUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(2)8-3-4-14(6-8)10(15)9-5-11-13-12-9/h5,7-8H,3-4,6H2,1-2H3,(H,11,12,13).
What are the key properties of (3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone?
(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 115686992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).