CID 175413683

C7H7ClN5OSe — CID 175413683

IUPAC—
SMILESCOc1nc(Cl)nc(NCC([Se])C#N)n1
InChIInChI=1S/C7H7ClN5OSe/c1-14-7-12-5(8)11-6(13-7)10-3-4(15)2-9/h4H,3H2,1H3,(H,10,11,12,13)
InChIKeyAHRDGHOJCVVRBV-UHFFFAOYSA-N
MW291.58 g/mol
LogP0.43
Rot. Bonds4

About CID 175413683

CID 175413683 (PubChem CID 175413683) has the molecular formula C7H7ClN5OSe and a molecular weight of 291.58 g/mol.

Molecular Properties

Compound NameCID 175413683
PubChem CID175413683
Molecular FormulaC7H7ClN5OSe
Molecular Weight291.58 g/mol
Exact Mass291.95
IUPAC Name—
SMILESCOc1nc(Cl)nc(NCC([Se])C#N)n1
InChIInChI=1S/C7H7ClN5OSe/c1-14-7-12-5(8)11-6(13-7)10-3-4(15)2-9/h4H,3H2,1H3,(H,10,11,12,13)
InChIKeyAHRDGHOJCVVRBV-UHFFFAOYSA-N
XLogP0.43
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303010
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
CID 62857957
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 62859494
1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol
CID 113430529
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323
6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 122714726
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutanoic acid
CID 80539533
N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384320
N-but-3-yn-2-yl-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 114417966
2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine
CID 63194425

Frequently Asked Questions

What is the IUPAC name of CID 175413683?
The IUPAC name of CID 175413683 (CID 175413683) is not available.
What is the SMILES notation for CID 175413683?
The canonical SMILES for CID 175413683 is COc1nc(Cl)nc(NCC([Se])C#N)n1.
What is the InChIKey of CID 175413683?
The InChIKey is AHRDGHOJCVVRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN5OSe/c1-14-7-12-5(8)11-6(13-7)10-3-4(15)2-9/h4H,3H2,1H3,(H,10,11,12,13).
What are the key properties of CID 175413683?
CID 175413683 has a molecular weight of 291.58 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175413683 is sourced from PubChem (CID 175413683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).