[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine

C7H12N4O — CID 65329448

IUPAC[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESNCc1nc(C2CCOC2)n[nH]1
InChIInChI=1S/C7H12N4O/c8-3-6-9-7(11-10-6)5-1-2-12-4-5/h5H,1-4,8H2,(H,9,10,11)
InChIKeyGFMSNJHAOCGENW-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.23
Rot. Bonds2

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

[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine (PubChem CID 65329448) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is [3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine
PubChem CID65329448
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESNCc1nc(C2CCOC2)n[nH]1
InChIInChI=1S/C7H12N4O/c8-3-6-9-7(11-10-6)5-1-2-12-4-5/h5H,1-4,8H2,(H,9,10,11)
InChIKeyGFMSNJHAOCGENW-UHFFFAOYSA-N
XLogP-0.23
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 126796183
5-(Tetrahydrofuran-3-yl)-1,2,4-triazole-3-carboxamide
CID 154733057
(5-(Tetrahydro-2h-pyran-4-yl)-4h-1,2,4-triazol-3-yl)methanamine
CID 65335042
[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanamine
CID 103150841
[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanamine
CID 103150842
N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
CID 154785399
5-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
CID 167818037
5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 167986171
5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
CID 61278114
3-(tetrahydrofuran-3-yl)-4H-1,2,4-triazole
CID 132090434
5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole
CID 132090435
1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60977823

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine?
The IUPAC name of [3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine (CID 65329448) is [3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine.
What is the SMILES notation for [3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine?
The canonical SMILES for [3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine is NCc1nc(C2CCOC2)n[nH]1.
What is the InChIKey of [3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine?
The InChIKey is GFMSNJHAOCGENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-3-6-9-7(11-10-6)5-1-2-12-4-5/h5H,1-4,8H2,(H,9,10,11).
What are the key properties of [3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine?
[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine has a molecular weight of 168.20 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine is sourced from PubChem (CID 65329448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).