5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine

C8H15N5O — CID 115440677

IUPAC5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine
SMILESNCC1(c2nc(N)n[nH]2)CCOCC1
InChIInChI=1S/C8H15N5O/c9-5-8(1-3-14-4-2-8)6-11-7(10)13-12-6/h1-5,9H2,(H3,10,11,12,13)
InChIKeyMCSOIFNCZKBLQM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.61
Rot. Bonds2

About 5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine

5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 115440677) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine
PubChem CID115440677
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine
SMILESNCC1(c2nc(N)n[nH]2)CCOCC1
InChIInChI=1S/C8H15N5O/c9-5-8(1-3-14-4-2-8)6-11-7(10)13-12-6/h1-5,9H2,(H3,10,11,12,13)
InChIKeyMCSOIFNCZKBLQM-UHFFFAOYSA-N
XLogP-0.61
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine 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

5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine
CID 130553098
8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine
CID 114608026
(4-pyridin-4-yloxan-4-yl)methanamine
CID 80524202
[4-(6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)oxan-4-yl]methanamine
CID 82621545
5-(1-amino-4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 61319754
[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine
CID 115447070
[4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine
CID 96759866
5-(4-methyl-1,1-dioxothian-4-yl)-1H-1,2,4-triazol-3-amine
CID 115037843
[4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine
CID 82666358
[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine
CID 18525387
methyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylate
CID 79733672
4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol
CID 139026545

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine (CID 115440677) is 5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine is NCC1(c2nc(N)n[nH]2)CCOCC1.
What is the InChIKey of 5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is MCSOIFNCZKBLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c9-5-8(1-3-14-4-2-8)6-11-7(10)13-12-6/h1-5,9H2,(H3,10,11,12,13).
What are the key properties of 5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine?
5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 197.24 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 115440677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).