3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine

C9H12N4O — CID 130597777

IUPAC3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine
SMILESCc1ccoc1CNc1cnnn1C
InChIInChI=1S/C9H12N4O/c1-7-3-4-14-8(7)5-10-9-6-11-12-13(9)2/h3-4,6,10H,5H2,1-2H3
InChIKeyPKUGQTGLEBOLBN-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.33
Rot. Bonds3

About 3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine

3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine (PubChem CID 130597777) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine
PubChem CID130597777
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine
SMILESCc1ccoc1CNc1cnnn1C
InChIInChI=1S/C9H12N4O/c1-7-3-4-14-8(7)5-10-9-6-11-12-13(9)2/h3-4,6,10H,5H2,1-2H3
InChIKeyPKUGQTGLEBOLBN-UHFFFAOYSA-N
XLogP1.33
TPSA55.88 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine?
The IUPAC name of 3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine (CID 130597777) is 3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine.
What is the SMILES notation for 3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine?
The canonical SMILES for 3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine is Cc1ccoc1CNc1cnnn1C.
What is the InChIKey of 3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine?
The InChIKey is PKUGQTGLEBOLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7-3-4-14-8(7)5-10-9-6-11-12-13(9)2/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine?
3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine has a molecular weight of 192.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylfuran-2-yl)methyl]triazol-4-amine is sourced from PubChem (CID 130597777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).