3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine

C9H16N4O — CID 130486514

IUPAC3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine
SMILESCCn1nncc1NC1CC(OC)C1
InChIInChI=1S/C9H16N4O/c1-3-13-9(6-10-12-13)11-7-4-8(5-7)14-2/h6-8,11H,3-5H2,1-2H3
InChIKeyLSAGPDVTMMIZQX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.89
Rot. Bonds4

About 3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine

3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine (PubChem CID 130486514) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine
PubChem CID130486514
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine
SMILESCCn1nncc1NC1CC(OC)C1
InChIInChI=1S/C9H16N4O/c1-3-13-9(6-10-12-13)11-7-4-8(5-7)14-2/h6-8,11H,3-5H2,1-2H3
InChIKeyLSAGPDVTMMIZQX-UHFFFAOYSA-N
XLogP0.89
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine?
The IUPAC name of 3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine (CID 130486514) is 3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine.
What is the SMILES notation for 3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine?
The canonical SMILES for 3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine is CCn1nncc1NC1CC(OC)C1.
What is the InChIKey of 3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine?
The InChIKey is LSAGPDVTMMIZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-13-9(6-10-12-13)11-7-4-8(5-7)14-2/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine?
3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine has a molecular weight of 196.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine is sourced from PubChem (CID 130486514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).