CID 135026025

C11H14N8 — CID 135026025

IUPAC—
SMILESCn1cc(CN2[C]N(Cc3cn(C)nn3)C=C2)nn1
InChIInChI=1S/C11H14N8/c1-16-5-10(12-14-16)7-18-3-4-19(9-18)8-11-6-17(2)15-13-11/h3-6H,7-8H2,1-2H3
InChIKeyFVZWWQQSYOHWHB-UHFFFAOYSA-N
MW258.29 g/mol
LogP-0.27
Rot. Bonds4

About CID 135026025

CID 135026025 (PubChem CID 135026025) has the molecular formula C11H14N8 and a molecular weight of 258.29 g/mol.

Molecular Properties

Compound NameCID 135026025
PubChem CID135026025
Molecular FormulaC11H14N8
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name—
SMILESCn1cc(CN2[C]N(Cc3cn(C)nn3)C=C2)nn1
InChIInChI=1S/C11H14N8/c1-16-5-10(12-14-16)7-18-3-4-19(9-18)8-11-6-17(2)15-13-11/h3-6H,7-8H2,1-2H3
InChIKeyFVZWWQQSYOHWHB-UHFFFAOYSA-N
XLogP-0.27
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 135026025?
The IUPAC name of CID 135026025 (CID 135026025) is not available.
What is the SMILES notation for CID 135026025?
The canonical SMILES for CID 135026025 is Cn1cc(CN2[C]N(Cc3cn(C)nn3)C=C2)nn1.
What is the InChIKey of CID 135026025?
The InChIKey is FVZWWQQSYOHWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8/c1-16-5-10(12-14-16)7-18-3-4-19(9-18)8-11-6-17(2)15-13-11/h3-6H,7-8H2,1-2H3.
What are the key properties of CID 135026025?
CID 135026025 has a molecular weight of 258.29 g/mol, XLogP of -0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135026025 is sourced from PubChem (CID 135026025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).