(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine

C12H20N4 — CID 62314525

IUPAC(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine
SMILESCCC(C)c1nc2c(c(NN)n1)CCCC2
InChIInChI=1S/C12H20N4/c1-3-8(2)11-14-10-7-5-4-6-9(10)12(15-11)16-13/h8H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyVRAULUBXMGGBKP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.15
Rot. Bonds3

About (2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine

(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine (PubChem CID 62314525) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine
PubChem CID62314525
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine
SMILESCCC(C)c1nc2c(c(NN)n1)CCCC2
InChIInChI=1S/C12H20N4/c1-3-8(2)11-14-10-7-5-4-6-9(10)12(15-11)16-13/h8H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyVRAULUBXMGGBKP-UHFFFAOYSA-N
XLogP2.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116730268
[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 116730417
[2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116730274
[2-[cyclohexyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777479
[2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777487
N-methyl-2-pentan-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62313616
(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine
CID 142163841
2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine
CID 115345273
2-propan-2-yl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191940
N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine
CID 63351901
2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114270687
N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116633187

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine?
The IUPAC name of (2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine (CID 62314525) is (2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine.
What is the SMILES notation for (2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine?
The canonical SMILES for (2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine is CCC(C)c1nc2c(c(NN)n1)CCCC2.
What is the InChIKey of (2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine?
The InChIKey is VRAULUBXMGGBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-8(2)11-14-10-7-5-4-6-9(10)12(15-11)16-13/h8H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of (2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine?
(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine has a molecular weight of 220.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine is sourced from PubChem (CID 62314525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).