N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine

C11H10N6O — CID 114184263

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCc1nc(CNc2nnc3ccccc3n2)no1
InChIInChI=1S/C11H10N6O/c1-7-13-10(17-18-7)6-12-11-14-8-4-2-3-5-9(8)15-16-11/h2-5H,6H2,1H3,(H,12,14,16)
InChIKeyBTIDOGVYAAJXMG-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.33
Rot. Bonds3

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine (PubChem CID 114184263) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine
PubChem CID114184263
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCc1nc(CNc2nnc3ccccc3n2)no1
InChIInChI=1S/C11H10N6O/c1-7-13-10(17-18-7)6-12-11-14-8-4-2-3-5-9(8)15-16-11/h2-5H,6H2,1H3,(H,12,14,16)
InChIKeyBTIDOGVYAAJXMG-UHFFFAOYSA-N
XLogP1.33
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
CID 113243841
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
CID 106405358
2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 113252882
4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746517
N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204340
N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 106013235
2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411587
2-N-ethyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411661
2-[(1,2,4-benzotriazin-3-ylamino)methyl]phenol
CID 103204536
N-[(3-methylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204399
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]naphthalene-1-carbothioamide
CID 106399554
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 103740945

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine (CID 114184263) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine is Cc1nc(CNc2nnc3ccccc3n2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is BTIDOGVYAAJXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-7-13-10(17-18-7)6-12-11-14-8-4-2-3-5-9(8)15-16-11/h2-5H,6H2,1H3,(H,12,14,16).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 242.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 114184263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).