2-(phthalazin-1-ylamino)cyclohexan-1-ol

C14H17N3O — CID 62358706

IUPAC2-(phthalazin-1-ylamino)cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nncc2ccccc12
InChIInChI=1S/C14H17N3O/c18-13-8-4-3-7-12(13)16-14-11-6-2-1-5-10(11)9-15-17-14/h1-2,5-6,9,12-13,18H,3-4,7-8H2,(H,16,17)
InChIKeyAWELBQUDGWWXCE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.35
Rot. Bonds2

About 2-(phthalazin-1-ylamino)cyclohexan-1-ol

2-(phthalazin-1-ylamino)cyclohexan-1-ol (PubChem CID 62358706) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(phthalazin-1-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(phthalazin-1-ylamino)cyclohexan-1-ol
PubChem CID62358706
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(phthalazin-1-ylamino)cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nncc2ccccc12
InChIInChI=1S/C14H17N3O/c18-13-8-4-3-7-12(13)16-14-11-6-2-1-5-10(11)9-15-17-14/h1-2,5-6,9,12-13,18H,3-4,7-8H2,(H,16,17)
InChIKeyAWELBQUDGWWXCE-UHFFFAOYSA-N
XLogP2.35
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(phthalazin-1-ylamino)cyclohexan-1-ol?
The IUPAC name of 2-(phthalazin-1-ylamino)cyclohexan-1-ol (CID 62358706) is 2-(phthalazin-1-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(phthalazin-1-ylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(phthalazin-1-ylamino)cyclohexan-1-ol is OC1CCCCC1Nc1nncc2ccccc12.
What is the InChIKey of 2-(phthalazin-1-ylamino)cyclohexan-1-ol?
The InChIKey is AWELBQUDGWWXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-13-8-4-3-7-12(13)16-14-11-6-2-1-5-10(11)9-15-17-14/h1-2,5-6,9,12-13,18H,3-4,7-8H2,(H,16,17).
What are the key properties of 2-(phthalazin-1-ylamino)cyclohexan-1-ol?
2-(phthalazin-1-ylamino)cyclohexan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phthalazin-1-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 62358706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).