N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine

C13H18N4 — CID 103204337

IUPACN-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine
SMILESCC(C)C(C)CNc1nnc2ccccc2n1
InChIInChI=1S/C13H18N4/c1-9(2)10(3)8-14-13-15-11-6-4-5-7-12(11)16-17-13/h4-7,9-10H,8H2,1-3H3,(H,14,15,17)
InChIKeyLZISJMNFGRKTPV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.73
Rot. Bonds4

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

N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine (PubChem CID 103204337) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine
PubChem CID103204337
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine
SMILESCC(C)C(C)CNc1nnc2ccccc2n1
InChIInChI=1S/C13H18N4/c1-9(2)10(3)8-14-13-15-11-6-4-5-7-12(11)16-17-13/h4-7,9-10H,8H2,1-3H3,(H,14,15,17)
InChIKeyLZISJMNFGRKTPV-UHFFFAOYSA-N
XLogP2.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204553
N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204477
N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204496
N-(2-chloro-3-ethylpentyl)-1,2,4-benzotriazin-3-amine
CID 106286752
N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine
CID 103204067
N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204232
N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204138
N-(1,2,4-benzotriazin-3-yl)-2-ethylbutane-1,4-diamine
CID 103205220
3-N-(1,2,4-benzotriazin-3-yl)-2-methylbutane-1,3-diamine
CID 103205232
4-(1,2,4-benzotriazin-3-ylamino)-3-methoxybutanoic acid
CID 103203861
N-(1-chloropropan-2-yl)-1,2,4-benzotriazin-3-amine
CID 103205096
N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204340

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine (CID 103204337) is N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine is CC(C)C(C)CNc1nnc2ccccc2n1.
What is the InChIKey of N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine?
The InChIKey is LZISJMNFGRKTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)10(3)8-14-13-15-11-6-4-5-7-12(11)16-17-13/h4-7,9-10H,8H2,1-3H3,(H,14,15,17).
What are the key properties of N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine?
N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).