(3-methoxy-1H-1,2,4-triazol-5-yl)methanamine

C4H8N4O — CID 83872219

IUPAC(3-methoxy-1H-1,2,4-triazol-5-yl)methanamine
SMILESCOc1n[nH]c(CN)n1
InChIInChI=1S/C4H8N4O/c1-9-4-6-3(2-5)7-8-4/h2,5H2,1H3,(H,6,7,8)
InChIKeyHLANAZYJSFPKJV-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.73
Rot. Bonds2

About (3-methoxy-1H-1,2,4-triazol-5-yl)methanamine

(3-methoxy-1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 83872219) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is (3-methoxy-1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-methoxy-1H-1,2,4-triazol-5-yl)methanamine
PubChem CID83872219
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name(3-methoxy-1H-1,2,4-triazol-5-yl)methanamine
SMILESCOc1n[nH]c(CN)n1
InChIInChI=1S/C4H8N4O/c1-9-4-6-3(2-5)7-8-4/h2,5H2,1H3,(H,6,7,8)
InChIKeyHLANAZYJSFPKJV-UHFFFAOYSA-N
XLogP-0.73
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-methoxy-1H-1,2,4-triazol-5-yl)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-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine
CID 83872862
3,5-dimethoxy-1H-1,2,4-triazole
CID 539449
[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 66486752
[3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 64534438
[3-(4-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 106819878
propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 143245315
[3-(1-ethoxybutyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 116732039
N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide
CID 83102737
5-azido-3-methoxy-1H-1,2,4-triazole
CID 3450738
(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methanamine
CID 15515077
[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 116779554
(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine;hydrobromide
CID 146014408

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (3-methoxy-1H-1,2,4-triazol-5-yl)methanamine (CID 83872219) is (3-methoxy-1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (3-methoxy-1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (3-methoxy-1H-1,2,4-triazol-5-yl)methanamine is COc1n[nH]c(CN)n1.
What is the InChIKey of (3-methoxy-1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is HLANAZYJSFPKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-9-4-6-3(2-5)7-8-4/h2,5H2,1H3,(H,6,7,8).
What are the key properties of (3-methoxy-1H-1,2,4-triazol-5-yl)methanamine?
(3-methoxy-1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 128.13 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 83872219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).