CID 140576512

C6H9N4 — CID 140576512

IUPAC—
SMILES[CH2]c1nc2n(n1)CCCN2
InChIInChI=1S/C6H9N4/c1-5-8-6-7-3-2-4-10(6)9-5/h1-4H2,(H,7,8,9)
InChIKeyHLTMVOLNPDORLA-UHFFFAOYSA-N
MW137.17 g/mol
LogP0.28
Rot. Bonds

About CID 140576512

CID 140576512 (PubChem CID 140576512) has the molecular formula C6H9N4 and a molecular weight of 137.17 g/mol.

Molecular Properties

Compound NameCID 140576512
PubChem CID140576512
Molecular FormulaC6H9N4
Molecular Weight137.17 g/mol
Exact Mass137.08
IUPAC Name—
SMILES[CH2]c1nc2n(n1)CCCN2
InChIInChI=1S/C6H9N4/c1-5-8-6-7-3-2-4-10(6)9-5/h1-4H2,(H,7,8,9)
InChIKeyHLTMVOLNPDORLA-UHFFFAOYSA-N
XLogP0.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 140576512?
The IUPAC name of CID 140576512 (CID 140576512) is not available.
What is the SMILES notation for CID 140576512?
The canonical SMILES for CID 140576512 is [CH2]c1nc2n(n1)CCCN2.
What is the InChIKey of CID 140576512?
The InChIKey is HLTMVOLNPDORLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N4/c1-5-8-6-7-3-2-4-10(6)9-5/h1-4H2,(H,7,8,9).
What are the key properties of CID 140576512?
CID 140576512 has a molecular weight of 137.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140576512 is sourced from PubChem (CID 140576512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).