N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine

C9H16N4O — CID 67009275

IUPACN-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine
SMILESCC1(C)CC(Nc2ncn[nH]2)CCO1
InChIInChI=1S/C9H16N4O/c1-9(2)5-7(3-4-14-9)12-8-10-6-11-13-8/h6-7H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyONLHXFODVUSHFY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.17
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine

N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 67009275) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine
PubChem CID67009275
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine
SMILESCC1(C)CC(Nc2ncn[nH]2)CCO1
InChIInChI=1S/C9H16N4O/c1-9(2)5-7(3-4-14-9)12-8-10-6-11-13-8/h6-7H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyONLHXFODVUSHFY-UHFFFAOYSA-N
XLogP1.17
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-imidazol-2-amine
CID 106578773
N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine
CID 106578747
N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 83028490
2-N-(2,2-dimethyloxan-4-yl)pyrazine-2,5-diamine
CID 83040320
5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile
CID 83029223
(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine
CID 40899638
2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine
CID 83027015
N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 113336591
N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine
CID 79042204
4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine
CID 83040106
1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
CID 114468372
N-(2,2-dimethyloxan-4-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 83029026

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine (CID 67009275) is N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine is CC1(C)CC(Nc2ncn[nH]2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is ONLHXFODVUSHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2)5-7(3-4-14-9)12-8-10-6-11-13-8/h6-7H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine?
N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 196.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 67009275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).