6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine

C9H14N4 — CID 66490640

IUPAC6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine
SMILESNNc1ncc2c(n1)CCCCC2
InChIInChI=1S/C9H14N4/c10-13-9-11-6-7-4-2-1-3-5-8(7)12-9/h6H,1-5,10H2,(H,11,12,13)
InChIKeyWWASPDAHXOKAOM-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.03
Rot. Bonds1

About 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine

6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine (PubChem CID 66490640) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine
PubChem CID66490640
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine
SMILESNNc1ncc2c(n1)CCCCC2
InChIInChI=1S/C9H14N4/c10-13-9-11-6-7-4-2-1-3-5-8(7)12-9/h6H,1-5,10H2,(H,11,12,13)
InChIKeyWWASPDAHXOKAOM-UHFFFAOYSA-N
XLogP1.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.03
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

N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
CID 63549792
5,6,7,8-tetrahydroquinazolin-2-ylcyanamide
CID 56921682
3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylamino)propanoic acid
CID 83841936
5,6,7,8-tetrahydroquinazolin-2-ylmethanamine
CID 55265501
tert-butyl N-[2-(5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-ylamino)ethyl]carbamate
CID 103278697
2-tert-butyl-5,6,7,8-tetrahydroquinazoline
CID 18736797
5,6,7,8-tetrahydroquinazoline-2-carbonitrile
CID 89386878
5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
CID 83914864
3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol
CID 105459189
1-(5,6,7,8-tetrahydroquinazolin-2-yl)propan-2-amine
CID 105445499
N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 167810243
5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80920340

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine?
The IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine (CID 66490640) is 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine is NNc1ncc2c(n1)CCCCC2.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine?
The InChIKey is WWASPDAHXOKAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-13-9-11-6-7-4-2-1-3-5-8(7)12-9/h6H,1-5,10H2,(H,11,12,13).
What are the key properties of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine?
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine has a molecular weight of 178.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine is sourced from PubChem (CID 66490640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).