(3-ethyltriazol-4-yl)-(furan-3-yl)methanamine

C9H12N4O — CID 130484270

IUPAC(3-ethyltriazol-4-yl)-(furan-3-yl)methanamine
SMILESCCn1nncc1C(N)c1ccoc1
InChIInChI=1S/C9H12N4O/c1-2-13-8(5-11-12-13)9(10)7-3-4-14-6-7/h3-6,9H,2,10H2,1H3
InChIKeyROQXOJMOFNMEFN-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.94
Rot. Bonds3

About (3-ethyltriazol-4-yl)-(furan-3-yl)methanamine

(3-ethyltriazol-4-yl)-(furan-3-yl)methanamine (PubChem CID 130484270) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is (3-ethyltriazol-4-yl)-(furan-3-yl)methanamine.

Molecular Properties

Compound Name(3-ethyltriazol-4-yl)-(furan-3-yl)methanamine
PubChem CID130484270
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name(3-ethyltriazol-4-yl)-(furan-3-yl)methanamine
SMILESCCn1nncc1C(N)c1ccoc1
InChIInChI=1S/C9H12N4O/c1-2-13-8(5-11-12-13)9(10)7-3-4-14-6-7/h3-6,9H,2,10H2,1H3
InChIKeyROQXOJMOFNMEFN-UHFFFAOYSA-N
XLogP0.94
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
(3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213442
(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213148
(4-bromo-3-chlorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213506
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797
(3-ethyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 114213305
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130804211
(1R)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130986923
(2,3-dimethylimidazol-4-yl)-(furan-3-yl)methanamine
CID 130518968
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride
CID 171231952
1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine
CID 130715109
1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
CID 105038767

Frequently Asked Questions

What is the IUPAC name of (3-ethyltriazol-4-yl)-(furan-3-yl)methanamine?
The IUPAC name of (3-ethyltriazol-4-yl)-(furan-3-yl)methanamine (CID 130484270) is (3-ethyltriazol-4-yl)-(furan-3-yl)methanamine.
What is the SMILES notation for (3-ethyltriazol-4-yl)-(furan-3-yl)methanamine?
The canonical SMILES for (3-ethyltriazol-4-yl)-(furan-3-yl)methanamine is CCn1nncc1C(N)c1ccoc1.
What is the InChIKey of (3-ethyltriazol-4-yl)-(furan-3-yl)methanamine?
The InChIKey is ROQXOJMOFNMEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-13-8(5-11-12-13)9(10)7-3-4-14-6-7/h3-6,9H,2,10H2,1H3.
What are the key properties of (3-ethyltriazol-4-yl)-(furan-3-yl)methanamine?
(3-ethyltriazol-4-yl)-(furan-3-yl)methanamine has a molecular weight of 192.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyltriazol-4-yl)-(furan-3-yl)methanamine is sourced from PubChem (CID 130484270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).