[2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine

C14H17N5O — CID 114938453

IUPAC[2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
SMILESCOc1ccc(-c2nc3c(c(NN)n2)CCCC3)cn1
InChIInChI=1S/C14H17N5O/c1-20-12-7-6-9(8-16-12)13-17-11-5-3-2-4-10(11)14(18-13)19-15/h6-8H,2-5,15H2,1H3,(H,17,18,19)
InChIKeyPFLXRQZUUHUIIE-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.71
Rot. Bonds3

About [2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine

[2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine (PubChem CID 114938453) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is [2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
PubChem CID114938453
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name[2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
SMILESCOc1ccc(-c2nc3c(c(NN)n2)CCCC3)cn1
InChIInChI=1S/C14H17N5O/c1-20-12-7-6-9(8-16-12)13-17-11-5-3-2-4-10(11)14(18-13)19-15/h6-8H,2-5,15H2,1H3,(H,17,18,19)
InChIKeyPFLXRQZUUHUIIE-UHFFFAOYSA-N
XLogP1.71
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.71
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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Related Compounds

2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114938362
[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251407
[2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62495287
[2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 114077274
[2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 82801875
[2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 115568369
[2-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62252758
[2-(5-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 81312713
[2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62250929
4-(6-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 71276522
[2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62251116
[2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 104818402

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The IUPAC name of [2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine (CID 114938453) is [2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine.
What is the SMILES notation for [2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The canonical SMILES for [2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine is COc1ccc(-c2nc3c(c(NN)n2)CCCC3)cn1.
What is the InChIKey of [2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The InChIKey is PFLXRQZUUHUIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-20-12-7-6-9(8-16-12)13-17-11-5-3-2-4-10(11)14(18-13)19-15/h6-8H,2-5,15H2,1H3,(H,17,18,19).
What are the key properties of [2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
[2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine has a molecular weight of 271.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine is sourced from PubChem (CID 114938453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).