N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine

C8H11N5O — CID 167911939

IUPACN,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1ocnc1-c1nc(N(C)C)n[nH]1
InChIInChI=1S/C8H11N5O/c1-5-6(9-4-14-5)7-10-8(12-11-7)13(2)3/h4H,1-3H3,(H,10,11,12)
InChIKeyMCZJPHJAQZCATH-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.83
Rot. Bonds2

About N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine

N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 167911939) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine
PubChem CID167911939
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC NameN,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1ocnc1-c1nc(N(C)C)n[nH]1
InChIInChI=1S/C8H11N5O/c1-5-6(9-4-14-5)7-10-8(12-11-7)13(2)3/h4H,1-3H3,(H,10,11,12)
InChIKeyMCZJPHJAQZCATH-UHFFFAOYSA-N
XLogP0.83
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine (CID 167911939) is N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine is Cc1ocnc1-c1nc(N(C)C)n[nH]1.
What is the InChIKey of N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is MCZJPHJAQZCATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-6(9-4-14-5)7-10-8(12-11-7)13(2)3/h4H,1-3H3,(H,10,11,12).
What are the key properties of N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine?
N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 193.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 167911939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).