N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine

C9H16N4O — CID 112596317

IUPACN,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CCCCO2)n1C
InChIInChI=1S/C9H16N4O/c1-10-9-12-11-8(13(9)2)7-5-3-4-6-14-7/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyRNEOGXYQYRQLJC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.10
Rot. Bonds2

About N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine

N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine (PubChem CID 112596317) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine
PubChem CID112596317
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CCCCO2)n1C
InChIInChI=1S/C9H16N4O/c1-10-9-12-11-8(13(9)2)7-5-3-4-6-14-7/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyRNEOGXYQYRQLJC-UHFFFAOYSA-N
XLogP1.10
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596396
N,4-dimethyl-5-(3-methyloxolan-2-yl)-1,2,4-triazol-3-amine
CID 112596403
N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
CID 166247490
5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596424
2-[[5-(oxan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115391936
3-(chloromethyl)-5-(oxolan-2-yl)-4-propyl-1,2,4-triazole
CID 115398211
3-(bromomethyl)-5-(oxolan-2-yl)-4-propan-2-yl-1,2,4-triazole
CID 115398988
6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139128
(5S)-5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 104911717
N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine
CID 112596248
3-(oxolan-2-yl)-4-propan-2-yl-1,2,4-triazole
CID 115393838
6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139131

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine (CID 112596317) is N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine is CNc1nnc(C2CCCCO2)n1C.
What is the InChIKey of N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is RNEOGXYQYRQLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-10-9-12-11-8(13(9)2)7-5-3-4-6-14-7/h7H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine?
N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 196.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).