1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine

C9H12N4O — CID 115645208

IUPAC1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccco2)n[nH]1
InChIInChI=1S/C9H12N4O/c1-7-11-9(13-12-7)6-10-5-8-3-2-4-14-8/h2-4,10H,5-6H2,1H3,(H,11,12,13)
InChIKeyHTCVKKZSSVNBRO-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.00
Rot. Bonds4

About 1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine

1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 115645208) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID115645208
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccco2)n[nH]1
InChIInChI=1S/C9H12N4O/c1-7-11-9(13-12-7)6-10-5-8-3-2-4-14-8/h2-4,10H,5-6H2,1H3,(H,11,12,13)
InChIKeyHTCVKKZSSVNBRO-UHFFFAOYSA-N
XLogP1.00
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645209
1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645187
N-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 54865266
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115685711
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 4723153
1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115672794
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 6462424
N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 2371805
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809780

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine (CID 115645208) is 1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine is Cc1nc(CNCc2ccco2)n[nH]1.
What is the InChIKey of 1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is HTCVKKZSSVNBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7-11-9(13-12-7)6-10-5-8-3-2-4-14-8/h2-4,10H,5-6H2,1H3,(H,11,12,13).
What are the key properties of 1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 192.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 115645208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).