(3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane

C11H23N5O — CID 144535044

IUPAC(3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane
SMILESCC.CC.Nc1n[nH]c(C(=O)N2CCCC2)n1
InChIInChI=1S/C7H11N5O.2C2H6/c8-7-9-5(10-11-7)6(13)12-3-1-2-4-12;2*1-2/h1-4H2,(H3,8,9,10,11);2*1-2H3
InChIKeyVYYXOXOPJUJQEA-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.68
Rot. Bonds1

About (3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane

(3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane (PubChem CID 144535044) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is (3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane.

Molecular Properties

Compound Name(3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane
PubChem CID144535044
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Name(3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane
SMILESCC.CC.Nc1n[nH]c(C(=O)N2CCCC2)n1
InChIInChI=1S/C7H11N5O.2C2H6/c8-7-9-5(10-11-7)6(13)12-3-1-2-4-12;2*1-2/h1-4H2,(H3,8,9,10,11);2*1-2H3
InChIKeyVYYXOXOPJUJQEA-UHFFFAOYSA-N
XLogP1.68
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-1H-1,2,4-triazol-5-yl)-(azocan-1-yl)methanone
CID 62807162
1-[4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 55114953
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxylic acid
CID 62793007
(3-amino-1H-1,2,4-triazol-5-yl)-(4-methylsulfanylazepan-1-yl)methanone
CID 114237048
2-[4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62823045
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 62794182
2-[4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 62794359
(3-amino-1H-1,2,4-triazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 62808586
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62793518
(3-amino-1H-1,2,4-triazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856445
(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
CID 79034625
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide
CID 62806690

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane?
The IUPAC name of (3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane (CID 144535044) is (3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane.
What is the SMILES notation for (3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane?
The canonical SMILES for (3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane is CC.CC.Nc1n[nH]c(C(=O)N2CCCC2)n1.
What is the InChIKey of (3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane?
The InChIKey is VYYXOXOPJUJQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O.2C2H6/c8-7-9-5(10-11-7)6(13)12-3-1-2-4-12;2*1-2/h1-4H2,(H3,8,9,10,11);2*1-2H3.
What are the key properties of (3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane?
(3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane has a molecular weight of 241.34 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane is sourced from PubChem (CID 144535044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).