N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine

C11H11N7 — CID 103204731

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine
SMILESNc1[nH]ncc1CNc1nnc2ccccc2n1
InChIInChI=1S/C11H11N7/c12-10-7(6-14-17-10)5-13-11-15-8-3-1-2-4-9(8)16-18-11/h1-4,6H,5H2,(H3,12,14,17)(H,13,15,18)
InChIKeyHIBDWCHDLWMVBV-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.94
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine

N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine (PubChem CID 103204731) has the molecular formula C11H11N7 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine
PubChem CID103204731
Molecular FormulaC11H11N7
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine
SMILESNc1[nH]ncc1CNc1nnc2ccccc2n1
InChIInChI=1S/C11H11N7/c12-10-7(6-14-17-10)5-13-11-15-8-3-1-2-4-9(8)16-18-11/h1-4,6H,5H2,(H3,12,14,17)(H,13,15,18)
InChIKeyHIBDWCHDLWMVBV-UHFFFAOYSA-N
XLogP0.94
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine (CID 103204731) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine is Nc1[nH]ncc1CNc1nnc2ccccc2n1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is HIBDWCHDLWMVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7/c12-10-7(6-14-17-10)5-13-11-15-8-3-1-2-4-9(8)16-18-11/h1-4,6H,5H2,(H3,12,14,17)(H,13,15,18).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 241.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).