N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine

C17H18N4 — CID 103204232

IUPACN-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCC(C)c1ccc(CNc2nnc3ccccc3n2)cc1
InChIInChI=1S/C17H18N4/c1-12(2)14-9-7-13(8-10-14)11-18-17-19-15-5-3-4-6-16(15)20-21-17/h3-10,12H,11H2,1-2H3,(H,18,19,21)
InChIKeyUXNFQNDSFXYPBH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.76
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine

N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine (PubChem CID 103204232) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine
PubChem CID103204232
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCC(C)c1ccc(CNc2nnc3ccccc3n2)cc1
InChIInChI=1S/C17H18N4/c1-12(2)14-9-7-13(8-10-14)11-18-17-19-15-5-3-4-6-16(15)20-21-17/h3-10,12H,11H2,1-2H3,(H,18,19,21)
InChIKeyUXNFQNDSFXYPBH-UHFFFAOYSA-N
XLogP3.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
CID 114789025
N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204477
N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204777
N-[1-[4-(aminomethyl)phenyl]ethyl]-1,2,4-benzotriazin-3-amine
CID 103203877
N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204340
2-[(1,2,4-benzotriazin-3-ylamino)methyl]phenol
CID 103204536
3-N,5-N-bis[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 7325539
N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204496
5-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 63208033
4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115355071
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine (CID 103204232) is N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine is CC(C)c1ccc(CNc2nnc3ccccc3n2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is UXNFQNDSFXYPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12(2)14-9-7-13(8-10-14)11-18-17-19-15-5-3-4-6-16(15)20-21-17/h3-10,12H,11H2,1-2H3,(H,18,19,21).
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine?
N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 278.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).