CID 164557825

C10H15GaN2 — CID 164557825

IUPAC—
SMILESCC.Cc1nnc([Ga])cc1C1CC1
InChIInChI=1S/C8H9N2.C2H6.Ga/c1-6-8(7-2-3-7)4-5-9-10-6;1-2;/h4,7H,2-3H2,1H3;1-2H3;
InChIKeyMKTCFZYTTFXDFZ-UHFFFAOYSA-N
MW232.97 g/mol
LogP1.48
Rot. Bonds1

About CID 164557825

CID 164557825 (PubChem CID 164557825) has the molecular formula C10H15GaN2 and a molecular weight of 232.97 g/mol.

Molecular Properties

Compound NameCID 164557825
PubChem CID164557825
Molecular FormulaC10H15GaN2
Molecular Weight232.97 g/mol
Exact Mass232.05
IUPAC Name—
SMILESCC.Cc1nnc([Ga])cc1C1CC1
InChIInChI=1S/C8H9N2.C2H6.Ga/c1-6-8(7-2-3-7)4-5-9-10-6;1-2;/h4,7H,2-3H2,1H3;1-2H3;
InChIKeyMKTCFZYTTFXDFZ-UHFFFAOYSA-N
XLogP1.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.97
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopentyl-N,6-dimethylpyridazin-3-amine
CID 83697993
4-cyclopropyl-3-methylpyridazine
CID 148790922
3-cyclopropyl-2-methyl-5-propan-2-ylpyridine
CID 142320143
(5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 146596366
2-chloro-1-cyclopropyl-4-methylbenzene;ethane
CID 144845511
1-cyclopropyl-2-fluoro-4-methylbenzene;ethane
CID 144800459
5-cyclopropyl-6-methylpyridin-2-amine
CID 79048984
4-cyclopropyl-5-ethyl-6-methylpyridin-2-amine
CID 118491476
4,6-dicyclopropyl-3-methylbenzene-1,2-diamine
CID 124706868
(5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
CID 134939192
5-chloro-4-cyclopropyl-2-methylpyridine
CID 172907560
2-chloro-3-cyclopropyl-5-methylpyridine
CID 130050341

Frequently Asked Questions

What is the IUPAC name of CID 164557825?
The IUPAC name of CID 164557825 (CID 164557825) is not available.
What is the SMILES notation for CID 164557825?
The canonical SMILES for CID 164557825 is CC.Cc1nnc([Ga])cc1C1CC1.
What is the InChIKey of CID 164557825?
The InChIKey is MKTCFZYTTFXDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2.C2H6.Ga/c1-6-8(7-2-3-7)4-5-9-10-6;1-2;/h4,7H,2-3H2,1H3;1-2H3;.
What are the key properties of CID 164557825?
CID 164557825 has a molecular weight of 232.97 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164557825 is sourced from PubChem (CID 164557825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).