N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine

C13H16N4O — CID 114241071

IUPACN-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine
SMILESCC1COCCC1Nc1nnc2ccccc2n1
InChIInChI=1S/C13H16N4O/c1-9-8-18-7-6-10(9)14-13-15-11-4-2-3-5-12(11)16-17-13/h2-5,9-10H,6-8H2,1H3,(H,14,15,17)
InChIKeyRWHJFKSBXUZXBX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.86
Rot. Bonds2

About N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine

N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine (PubChem CID 114241071) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine
PubChem CID114241071
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine
SMILESCC1COCCC1Nc1nnc2ccccc2n1
InChIInChI=1S/C13H16N4O/c1-9-8-18-7-6-10(9)14-13-15-11-4-2-3-5-12(11)16-17-13/h2-5,9-10H,6-8H2,1H3,(H,14,15,17)
InChIKeyRWHJFKSBXUZXBX-UHFFFAOYSA-N
XLogP1.86
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine (CID 114241071) is N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine is CC1COCCC1Nc1nnc2ccccc2n1.
What is the InChIKey of N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine?
The InChIKey is RWHJFKSBXUZXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-8-18-7-6-10(9)14-13-15-11-4-2-3-5-12(11)16-17-13/h2-5,9-10H,6-8H2,1H3,(H,14,15,17).
What are the key properties of N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine?
N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine has a molecular weight of 244.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 114241071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).