N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine

C12H16N4 — CID 103204067

IUPACN-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine
SMILESCC(C)C(C)Nc1nnc2ccccc2n1
InChIInChI=1S/C12H16N4/c1-8(2)9(3)13-12-14-10-6-4-5-7-11(10)15-16-12/h4-9H,1-3H3,(H,13,14,16)
InChIKeyBHUKXSCQSZBJQK-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.48
Rot. Bonds3

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

N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine (PubChem CID 103204067) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine
PubChem CID103204067
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine
SMILESCC(C)C(C)Nc1nnc2ccccc2n1
InChIInChI=1S/C12H16N4/c1-8(2)9(3)13-12-14-10-6-4-5-7-11(10)15-16-12/h4-9H,1-3H3,(H,13,14,16)
InChIKeyBHUKXSCQSZBJQK-UHFFFAOYSA-N
XLogP2.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(1,2,4-benzotriazin-3-yl)-2-methylbutane-1,3-diamine
CID 103205232
N-(1-chloropropan-2-yl)-1,2,4-benzotriazin-3-amine
CID 103205096
N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine
CID 103204337
N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204777
N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204195
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)-4,4-dimethylpentane-1,3-diamine
CID 106357864
N-hexan-3-yl-1,2,4-benzotriazin-3-amine
CID 103204245
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204246
N-[1-[4-(aminomethyl)phenyl]ethyl]-1,2,4-benzotriazin-3-amine
CID 103203877
2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide
CID 103204462

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine (CID 103204067) is N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine is CC(C)C(C)Nc1nnc2ccccc2n1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine?
The InChIKey is BHUKXSCQSZBJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8(2)9(3)13-12-14-10-6-4-5-7-11(10)15-16-12/h4-9H,1-3H3,(H,13,14,16).
What are the key properties of N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine?
N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine has a molecular weight of 216.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).