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

C8H14N4O2 — CID 139026545

IUPAC4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol
SMILESNCc1nc(C2(O)CCOCC2)n[nH]1
InChIInChI=1S/C8H14N4O2/c9-5-6-10-7(12-11-6)8(13)1-3-14-4-2-8/h13H,1-5,9H2,(H,10,11,12)
InChIKeyRKMNXQDQBNIGNF-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.74
Rot. Bonds2

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

4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol (PubChem CID 139026545) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol
PubChem CID139026545
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol
SMILESNCc1nc(C2(O)CCOCC2)n[nH]1
InChIInChI=1S/C8H14N4O2/c9-5-6-10-7(12-11-6)8(13)1-3-14-4-2-8/h13H,1-5,9H2,(H,10,11,12)
InChIKeyRKMNXQDQBNIGNF-UHFFFAOYSA-N
XLogP-0.74
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

[3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 116782471
[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 116779554
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine
CID 115451878
[3-(3,5-dimethyl-1-adamantyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 79986335
2-[3-(2-methyloxan-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile
CID 80681122
5-[4-(aminomethyl)oxan-4-yl]-1H-1,2,4-triazol-3-amine
CID 115440677
2-[3-(1-ethoxycyclohexyl)-1H-1,2,4-triazol-5-yl]acetonitrile
CID 116782128
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 120567027
5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 81131094
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide;dihydrochloride
CID 120566594
2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 55182307
5-ethyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole
CID 63145341

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol?
The IUPAC name of 4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol (CID 139026545) is 4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol.
What is the SMILES notation for 4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol?
The canonical SMILES for 4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol is NCc1nc(C2(O)CCOCC2)n[nH]1.
What is the InChIKey of 4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol?
The InChIKey is RKMNXQDQBNIGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c9-5-6-10-7(12-11-6)8(13)1-3-14-4-2-8/h13H,1-5,9H2,(H,10,11,12).
What are the key properties of 4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol?
4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol has a molecular weight of 198.23 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol is sourced from PubChem (CID 139026545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).