N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine

C14H21N5 — CID 103205202

IUPACN'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)c1nnc2ccccc2n1
InChIInChI=1S/C14H21N5/c1-3-11(4-2)19(10-9-15)14-16-12-7-5-6-8-13(12)17-18-14/h5-8,11H,3-4,9-10,15H2,1-2H3
InChIKeyVSZUFWBPHCLQOS-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.98
Rot. Bonds6

About N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine

N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 103205202) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine
PubChem CID103205202
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)c1nnc2ccccc2n1
InChIInChI=1S/C14H21N5/c1-3-11(4-2)19(10-9-15)14-16-12-7-5-6-8-13(12)17-18-14/h5-8,11H,3-4,9-10,15H2,1-2H3
InChIKeyVSZUFWBPHCLQOS-UHFFFAOYSA-N
XLogP1.98
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloroethyl)-N-propan-2-yl-1,2,4-benzotriazin-3-amine
CID 103205075
N-(3-chloropropyl)-N-propan-2-yl-1,2,4-benzotriazin-3-amine
CID 103205065
N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 63759067
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 115355774
N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine
CID 63760008
3-[1,2,4-benzotriazin-3-yl(2-methylpropyl)amino]propanethioamide
CID 103203922
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine
CID 103203879
3-[1,2,4-benzotriazin-3-yl(ethyl)amino]-N'-hydroxypropanimidamide
CID 103203991
N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 63759066
N-(2-bromoethyl)-N-pentan-3-ylpyrimidin-2-amine
CID 80680520
1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol
CID 106543352
ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate
CID 103204951

Frequently Asked Questions

What is the IUPAC name of N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine (CID 103205202) is N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCN)c1nnc2ccccc2n1.
What is the InChIKey of N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is VSZUFWBPHCLQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-11(4-2)19(10-9-15)14-16-12-7-5-6-8-13(12)17-18-14/h5-8,11H,3-4,9-10,15H2,1-2H3.
What are the key properties of N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine?
N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 259.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 103205202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).