[4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine

C14H16N6 — CID 80901736

IUPAC[4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine
SMILESCC(C)c1ccn(-c2nc(NN)nc3ccccc23)n1
InChIInChI=1S/C14H16N6/c1-9(2)11-7-8-20(19-11)13-10-5-3-4-6-12(10)16-14(17-13)18-15/h3-9H,15H2,1-2H3,(H,16,17,18)
InChIKeyHNDGBPVDCUJLMN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.22
Rot. Bonds3

About [4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine

[4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine (PubChem CID 80901736) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is [4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine
PubChem CID80901736
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name[4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine
SMILESCC(C)c1ccn(-c2nc(NN)nc3ccccc23)n1
InChIInChI=1S/C14H16N6/c1-9(2)11-7-8-20(19-11)13-10-5-3-4-6-12(10)16-14(17-13)18-15/h3-9H,15H2,1-2H3,(H,16,17,18)
InChIKeyHNDGBPVDCUJLMN-UHFFFAOYSA-N
XLogP2.22
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine?
The IUPAC name of [4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine (CID 80901736) is [4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine?
The canonical SMILES for [4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine is CC(C)c1ccn(-c2nc(NN)nc3ccccc23)n1.
What is the InChIKey of [4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine?
The InChIKey is HNDGBPVDCUJLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-9(2)11-7-8-20(19-11)13-10-5-3-4-6-12(10)16-14(17-13)18-15/h3-9H,15H2,1-2H3,(H,16,17,18).
What are the key properties of [4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine?
[4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine has a molecular weight of 268.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine is sourced from PubChem (CID 80901736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).