N-hexan-3-yl-1,2,4-benzotriazin-3-amine

C13H18N4 — CID 103204245

IUPACN-hexan-3-yl-1,2,4-benzotriazin-3-amine
SMILESCCCC(CC)Nc1nnc2ccccc2n1
InChIInChI=1S/C13H18N4/c1-3-7-10(4-2)14-13-15-11-8-5-6-9-12(11)16-17-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15,17)
InChIKeyHKSCJJKSLNMSMP-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.02
Rot. Bonds5

About N-hexan-3-yl-1,2,4-benzotriazin-3-amine

N-hexan-3-yl-1,2,4-benzotriazin-3-amine (PubChem CID 103204245) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-hexan-3-yl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-hexan-3-yl-1,2,4-benzotriazin-3-amine
PubChem CID103204245
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-hexan-3-yl-1,2,4-benzotriazin-3-amine
SMILESCCCC(CC)Nc1nnc2ccccc2n1
InChIInChI=1S/C13H18N4/c1-3-7-10(4-2)14-13-15-11-8-5-6-9-12(11)16-17-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15,17)
InChIKeyHKSCJJKSLNMSMP-UHFFFAOYSA-N
XLogP3.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-benzotriazin-3-ylamino)butanoic acid
CID 103203706
3-N-(1,2,4-benzotriazin-3-yl)-4-methoxybutane-1,3-diamine
CID 106154714
N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine
CID 103204067
N-(1-chloropropan-2-yl)-1,2,4-benzotriazin-3-amine
CID 103205096
1-N-(1,2,4-benzotriazin-3-yl)pentane-1,3-diamine
CID 103205234
N-(4-methylsulfanylbutan-2-yl)-1,2,4-benzotriazin-3-amine
CID 103204497
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,2,4-benzotriazin-3-amine
CID 114177630
3-N-(1,2,4-benzotriazin-3-yl)-2-methylbutane-1,3-diamine
CID 103205232
3-N-(1,2,4-benzotriazin-3-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357864
N-(1,2,4-benzotriazin-3-yl)-2-ethylbutane-1,4-diamine
CID 103205220
2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide
CID 103204462
N-(2-chloro-3-ethylpentyl)-1,2,4-benzotriazin-3-amine
CID 106286752

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-hexan-3-yl-1,2,4-benzotriazin-3-amine (CID 103204245) is N-hexan-3-yl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-hexan-3-yl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-hexan-3-yl-1,2,4-benzotriazin-3-amine is CCCC(CC)Nc1nnc2ccccc2n1.
What is the InChIKey of N-hexan-3-yl-1,2,4-benzotriazin-3-amine?
The InChIKey is HKSCJJKSLNMSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-7-10(4-2)14-13-15-11-8-5-6-9-12(11)16-17-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15,17).
What are the key properties of N-hexan-3-yl-1,2,4-benzotriazin-3-amine?
N-hexan-3-yl-1,2,4-benzotriazin-3-amine has a molecular weight of 230.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).