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

C11H12N4 — CID 103204508

IUPACN-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine
SMILESCC1(Nc2nnc3ccccc3n2)CC1
InChIInChI=1S/C11H12N4/c1-11(6-7-11)13-10-12-8-4-2-3-5-9(8)14-15-10/h2-5H,6-7H2,1H3,(H,12,13,15)
InChIKeyPHRAHKOBKPDYSM-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.99
Rot. Bonds2

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

N-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine (PubChem CID 103204508) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine
PubChem CID103204508
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC NameN-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine
SMILESCC1(Nc2nnc3ccccc3n2)CC1
InChIInChI=1S/C11H12N4/c1-11(6-7-11)13-10-12-8-4-2-3-5-9(8)14-15-10/h2-5H,6-7H2,1H3,(H,12,13,15)
InChIKeyPHRAHKOBKPDYSM-UHFFFAOYSA-N
XLogP1.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine (CID 103204508) is N-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine is CC1(Nc2nnc3ccccc3n2)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine?
The InChIKey is PHRAHKOBKPDYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-11(6-7-11)13-10-12-8-4-2-3-5-9(8)14-15-10/h2-5H,6-7H2,1H3,(H,12,13,15).
What are the key properties of N-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine?
N-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine has a molecular weight of 200.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).