CID 59095153

C11H16N3O — CID 59095153

IUPAC—
SMILESCOc1nc(N2CCCCC2)ccc1[NH]
InChIInChI=1S/C11H16N3O/c1-15-11-9(12)5-6-10(13-11)14-7-3-2-4-8-14/h5-6,12H,2-4,7-8H2,1H3
InChIKeyAEVCRCHGNAKHDH-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.99
Rot. Bonds2

About CID 59095153

CID 59095153 (PubChem CID 59095153) has the molecular formula C11H16N3O and a molecular weight of 206.27 g/mol.

Molecular Properties

Compound NameCID 59095153
PubChem CID59095153
Molecular FormulaC11H16N3O
Molecular Weight206.27 g/mol
Exact Mass206.13
IUPAC Name—
SMILESCOc1nc(N2CCCCC2)ccc1[NH]
InChIInChI=1S/C11H16N3O/c1-15-11-9(12)5-6-10(13-11)14-7-3-2-4-8-14/h5-6,12H,2-4,7-8H2,1H3
InChIKeyAEVCRCHGNAKHDH-UHFFFAOYSA-N
XLogP1.99
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59095153?
The IUPAC name of CID 59095153 (CID 59095153) is not available.
What is the SMILES notation for CID 59095153?
The canonical SMILES for CID 59095153 is COc1nc(N2CCCCC2)ccc1[NH].
What is the InChIKey of CID 59095153?
The InChIKey is AEVCRCHGNAKHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N3O/c1-15-11-9(12)5-6-10(13-11)14-7-3-2-4-8-14/h5-6,12H,2-4,7-8H2,1H3.
What are the key properties of CID 59095153?
CID 59095153 has a molecular weight of 206.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59095153 is sourced from PubChem (CID 59095153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).