3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine

C9H17N5 — CID 130486233

IUPAC3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine
SMILESCCn1nncc1NC1CCN(C)C1
InChIInChI=1S/C9H17N5/c1-3-14-9(6-10-12-14)11-8-4-5-13(2)7-8/h6,8,11H,3-5,7H2,1-2H3
InChIKeyUMLPEOLBTDXFNA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.41
Rot. Bonds3

About 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine

3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine (PubChem CID 130486233) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine
PubChem CID130486233
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine
SMILESCCn1nncc1NC1CCN(C)C1
InChIInChI=1S/C9H17N5/c1-3-14-9(6-10-12-14)11-8-4-5-13(2)7-8/h6,8,11H,3-5,7H2,1-2H3
InChIKeyUMLPEOLBTDXFNA-UHFFFAOYSA-N
XLogP0.41
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine
CID 130486514
N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine
CID 107649099
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 143709690
4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
CID 62962634
3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine
CID 130486189
2-N,2-N-diethyl-5-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine
CID 55142362
5-methyl-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,4-diamine
CID 83266421
4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
CID 121476463
1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 62133635
5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918562
3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 61465020

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine?
The IUPAC name of 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine (CID 130486233) is 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine.
What is the SMILES notation for 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine?
The canonical SMILES for 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine is CCn1nncc1NC1CCN(C)C1.
What is the InChIKey of 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine?
The InChIKey is UMLPEOLBTDXFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-3-14-9(6-10-12-14)11-8-4-5-13(2)7-8/h6,8,11H,3-5,7H2,1-2H3.
What are the key properties of 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine?
3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine has a molecular weight of 195.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine is sourced from PubChem (CID 130486233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).