CID 88680836

C6H7N4Se — CID 88680836

IUPAC—
SMILESC=CCNc1ncnc([Se])n1
InChIInChI=1S/C6H7N4Se/c1-2-3-7-5-8-4-9-6(11)10-5/h2,4H,1,3H2,(H,7,8,9,10)
InChIKeySIOPXXFNPGFPKG-UHFFFAOYSA-N
MW214.11 g/mol
LogP-0.74
Rot. Bonds3

About CID 88680836

CID 88680836 (PubChem CID 88680836) has the molecular formula C6H7N4Se and a molecular weight of 214.11 g/mol.

Molecular Properties

Compound NameCID 88680836
PubChem CID88680836
Molecular FormulaC6H7N4Se
Molecular Weight214.11 g/mol
Exact Mass214.98
IUPAC Name—
SMILESC=CCNc1ncnc([Se])n1
InChIInChI=1S/C6H7N4Se/c1-2-3-7-5-8-4-9-6(11)10-5/h2,4H,1,3H2,(H,7,8,9,10)
InChIKeySIOPXXFNPGFPKG-UHFFFAOYSA-N
XLogP-0.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
2,4,6-Triallylamino-sym-triazine
CID 35080
2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 10986425
4-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 173427726
N-(buta-1,3-dien-2-yl)-1,3,5-triazin-2-amine
CID 162368556
6-chloro-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 34927
N~2~-(Prop-2-en-1-yl)-1,3,5-triazine-2,4,6-triamine
CID 15835051
4-chloro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 20399199
4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 22118054
Allyl-[1,3,5]triazin-2-yl-amine
CID 54016589
6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 54353580

Frequently Asked Questions

What is the IUPAC name of CID 88680836?
The IUPAC name of CID 88680836 (CID 88680836) is not available.
What is the SMILES notation for CID 88680836?
The canonical SMILES for CID 88680836 is C=CCNc1ncnc([Se])n1.
What is the InChIKey of CID 88680836?
The InChIKey is SIOPXXFNPGFPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N4Se/c1-2-3-7-5-8-4-9-6(11)10-5/h2,4H,1,3H2,(H,7,8,9,10).
What are the key properties of CID 88680836?
CID 88680836 has a molecular weight of 214.11 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88680836 is sourced from PubChem (CID 88680836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).