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

C16H16N4 — CID 103204477

IUPACN-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
SMILESCC(CNc1nnc2ccccc2n1)c1ccccc1
InChIInChI=1S/C16H16N4/c1-12(13-7-3-2-4-8-13)11-17-16-18-14-9-5-6-10-15(14)19-20-16/h2-10,12H,11H2,1H3,(H,17,18,20)
InChIKeyUEVCKRGWEOZIBI-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.24
Rot. Bonds4

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

N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine (PubChem CID 103204477) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
PubChem CID103204477
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
SMILESCC(CNc1nnc2ccccc2n1)c1ccccc1
InChIInChI=1S/C16H16N4/c1-12(13-7-3-2-4-8-13)11-17-16-18-14-9-5-6-10-15(14)19-20-16/h2-10,12H,11H2,1H3,(H,17,18,20)
InChIKeyUEVCKRGWEOZIBI-UHFFFAOYSA-N
XLogP3.24
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine
CID 103204337
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204553
N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204496
N-(2-phenylpropyl)quinoxalin-2-amine
CID 47142875
4-(1,2,4-benzotriazin-3-ylamino)-3-methoxybutanoic acid
CID 103203861
N-(2-chloro-3-ethylpentyl)-1,2,4-benzotriazin-3-amine
CID 106286752
N-(2-phenylpropyl)quinolin-2-amine
CID 115569576
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
5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
CID 112696400
N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204068

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine (CID 103204477) is N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine is CC(CNc1nnc2ccccc2n1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine?
The InChIKey is UEVCKRGWEOZIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-12(13-7-3-2-4-8-13)11-17-16-18-14-9-5-6-10-15(14)19-20-16/h2-10,12H,11H2,1H3,(H,17,18,20).
What are the key properties of N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine?
N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine has a molecular weight of 264.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).