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

C7H12N4O — CID 65363411

IUPACoxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine
SMILESNC(c1ncn[nH]1)C1CCOC1
InChIInChI=1S/C7H12N4O/c8-6(5-1-2-12-3-5)7-9-4-10-11-7/h4-6H,1-3,8H2,(H,9,10,11)
InChIKeyWHMGIPNRMVKZAR-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.16
Rot. Bonds2

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

oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 65363411) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Nameoxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID65363411
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Nameoxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine
SMILESNC(c1ncn[nH]1)C1CCOC1
InChIInChI=1S/C7H12N4O/c8-6(5-1-2-12-3-5)7-9-4-10-11-7/h4-6H,1-3,8H2,(H,9,10,11)
InChIKeyWHMGIPNRMVKZAR-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 65363356
(5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine
CID 102970245
oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
CID 102969999
[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine
CID 102970575
(5-bromopyrimidin-4-yl)-(oxolan-3-yl)methanamine
CID 130565497
N-[1-(oxolan-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]propan-1-amine
CID 113449462
(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 130518971
[5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230654
(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
CID 61273204
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine
CID 65330620
6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 125175212

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine (CID 65363411) is oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine is NC(c1ncn[nH]1)C1CCOC1.
What is the InChIKey of oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is WHMGIPNRMVKZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-6(5-1-2-12-3-5)7-9-4-10-11-7/h4-6H,1-3,8H2,(H,9,10,11).
What are the key properties of oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine?
oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 168.20 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 65363411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).