CID 141388602

C17H21N3 — CID 141388602

IUPAC—
SMILESCC1=NC2(N=C1N)c1ccccc1CC21CCCCC1
InChIInChI=1S/C17H21N3/c1-12-15(18)20-17(19-12)14-8-4-3-7-13(14)11-16(17)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,18,20)
InChIKeyCXPJIRUWOBPUQS-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.18
Rot. Bonds

About CID 141388602

CID 141388602 (PubChem CID 141388602) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol.

Molecular Properties

Compound NameCID 141388602
PubChem CID141388602
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name—
SMILESCC1=NC2(N=C1N)c1ccccc1CC21CCCCC1
InChIInChI=1S/C17H21N3/c1-12-15(18)20-17(19-12)14-8-4-3-7-13(14)11-16(17)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,18,20)
InChIKeyCXPJIRUWOBPUQS-UHFFFAOYSA-N
XLogP3.18
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 141388602?
The IUPAC name of CID 141388602 (CID 141388602) is not available.
What is the SMILES notation for CID 141388602?
The canonical SMILES for CID 141388602 is CC1=NC2(N=C1N)c1ccccc1CC21CCCCC1.
What is the InChIKey of CID 141388602?
The InChIKey is CXPJIRUWOBPUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-15(18)20-17(19-12)14-8-4-3-7-13(14)11-16(17)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,18,20).
What are the key properties of CID 141388602?
CID 141388602 has a molecular weight of 267.38 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 141388602 is sourced from PubChem (CID 141388602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).