N-methyl-4-pyrazol-1-ylquinazolin-2-amine

C12H11N5 — CID 80854215

IUPACN-methyl-4-pyrazol-1-ylquinazolin-2-amine
SMILESCNc1nc(-n2cccn2)c2ccccc2n1
InChIInChI=1S/C12H11N5/c1-13-12-15-10-6-3-2-5-9(10)11(16-12)17-8-4-7-14-17/h2-8H,1H3,(H,13,15,16)
InChIKeyXQYQQGMUNTUQME-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.86
Rot. Bonds2

About N-methyl-4-pyrazol-1-ylquinazolin-2-amine

N-methyl-4-pyrazol-1-ylquinazolin-2-amine (PubChem CID 80854215) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-methyl-4-pyrazol-1-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pyrazol-1-ylquinazolin-2-amine
PubChem CID80854215
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC NameN-methyl-4-pyrazol-1-ylquinazolin-2-amine
SMILESCNc1nc(-n2cccn2)c2ccccc2n1
InChIInChI=1S/C12H11N5/c1-13-12-15-10-6-3-2-5-9(10)11(16-12)17-8-4-7-14-17/h2-8H,1H3,(H,13,15,16)
InChIKeyXQYQQGMUNTUQME-UHFFFAOYSA-N
XLogP1.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrazol-1-ylquinazolin-2-amine?
The IUPAC name of N-methyl-4-pyrazol-1-ylquinazolin-2-amine (CID 80854215) is N-methyl-4-pyrazol-1-ylquinazolin-2-amine.
What is the SMILES notation for N-methyl-4-pyrazol-1-ylquinazolin-2-amine?
The canonical SMILES for N-methyl-4-pyrazol-1-ylquinazolin-2-amine is CNc1nc(-n2cccn2)c2ccccc2n1.
What is the InChIKey of N-methyl-4-pyrazol-1-ylquinazolin-2-amine?
The InChIKey is XQYQQGMUNTUQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-13-12-15-10-6-3-2-5-9(10)11(16-12)17-8-4-7-14-17/h2-8H,1H3,(H,13,15,16).
What are the key properties of N-methyl-4-pyrazol-1-ylquinazolin-2-amine?
N-methyl-4-pyrazol-1-ylquinazolin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrazol-1-ylquinazolin-2-amine is sourced from PubChem (CID 80854215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).