3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine

C11H13N5 — CID 176815593

IUPAC3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine
SMILESCCn1cc(-c2cncc(N3CC3)c2)nn1
InChIInChI=1S/C11H13N5/c1-2-16-8-11(13-14-16)9-5-10(7-12-6-9)15-3-4-15/h5-8H,2-4H2,1H3
InChIKeyNVZZWECVLCCTHZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.18
Rot. Bonds3

About 3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine

3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine (PubChem CID 176815593) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine.

Molecular Properties

Compound Name3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine
PubChem CID176815593
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine
SMILESCCn1cc(-c2cncc(N3CC3)c2)nn1
InChIInChI=1S/C11H13N5/c1-2-16-8-11(13-14-16)9-5-10(7-12-6-9)15-3-4-15/h5-8H,2-4H2,1H3
InChIKeyNVZZWECVLCCTHZ-UHFFFAOYSA-N
XLogP1.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethyltriazol-4-yl)-5-piperidin-1-ylpyridine
CID 176815874
3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine
CID 176815572
1-[5-[1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]triazol-4-yl]-3-pyridinyl]-4-ethylpiperazine
CID 147816842
1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538
2-[4-(5-bromo-3-pyridinyl)triazol-1-yl]ethanol
CID 165476430
6-[[4-[5-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]triazol-1-yl]methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indole
CID 171084531
1-tert-butyl-4-[5-[1-[2-chloro-6-fluoro-3-(propylsulfonylmethyl)phenyl]triazol-4-yl]-3-pyridinyl]piperazine
CID 160653037
2-(4-fluoro-1-bicyclo[2.2.2]octanyl)-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine
CID 177306185
N-[(4-fluoro-1-bicyclo[2.2.2]octanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 176815806
1-(1-tert-butyl-5-propylpyrazol-3-yl)-2-[5-[4-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-6-methyl-3-pyridinyl]ethanone
CID 159806722
4-[5-[1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]triazol-4-yl]-3-pyridinyl]morpholine
CID 157126687
2-[4-[5-[1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]triazol-4-yl]-3-pyridinyl]piperazin-1-yl]acetonitrile
CID 140602741

Frequently Asked Questions

What is the IUPAC name of 3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine?
The IUPAC name of 3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine (CID 176815593) is 3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine.
What is the SMILES notation for 3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine?
The canonical SMILES for 3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine is CCn1cc(-c2cncc(N3CC3)c2)nn1.
What is the InChIKey of 3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine?
The InChIKey is NVZZWECVLCCTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-16-8-11(13-14-16)9-5-10(7-12-6-9)15-3-4-15/h5-8H,2-4H2,1H3.
What are the key properties of 3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine?
3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine has a molecular weight of 215.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine is sourced from PubChem (CID 176815593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).