CID 52951517

C14H14N5O2 — CID 52951517

IUPAC—
SMILESCc1cn(Cc2cn(C[C]3[CH][CH][CH][CH]3)nn2)c(=O)[nH]c1=O
InChIInChI=1S/C14H14N5O2/c1-10-6-18(14(21)15-13(10)20)8-12-9-19(17-16-12)7-11-4-2-3-5-11/h2-6,9H,7-8H2,1H3,(H,15,20,21)
InChIKeyVSRXJIFKSLZQTQ-UHFFFAOYSA-N
MW284.30 g/mol
LogP-0.11
Rot. Bonds4

About CID 52951517

CID 52951517 (PubChem CID 52951517) has the molecular formula C14H14N5O2 and a molecular weight of 284.30 g/mol.

Molecular Properties

Compound NameCID 52951517
PubChem CID52951517
Molecular FormulaC14H14N5O2
Molecular Weight284.30 g/mol
Exact Mass284.11
IUPAC Name—
SMILESCc1cn(Cc2cn(C[C]3[CH][CH][CH][CH]3)nn2)c(=O)[nH]c1=O
InChIInChI=1S/C14H14N5O2/c1-10-6-18(14(21)15-13(10)20)8-12-9-19(17-16-12)7-11-4-2-3-5-11/h2-6,9H,7-8H2,1H3,(H,15,20,21)
InChIKeyVSRXJIFKSLZQTQ-UHFFFAOYSA-N
XLogP-0.11
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 52951517?
The IUPAC name of CID 52951517 (CID 52951517) is not available.
What is the SMILES notation for CID 52951517?
The canonical SMILES for CID 52951517 is Cc1cn(Cc2cn(C[C]3[CH][CH][CH][CH]3)nn2)c(=O)[nH]c1=O.
What is the InChIKey of CID 52951517?
The InChIKey is VSRXJIFKSLZQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N5O2/c1-10-6-18(14(21)15-13(10)20)8-12-9-19(17-16-12)7-11-4-2-3-5-11/h2-6,9H,7-8H2,1H3,(H,15,20,21).
What are the key properties of CID 52951517?
CID 52951517 has a molecular weight of 284.30 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 52951517 is sourced from PubChem (CID 52951517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).