CID 172854912

C15H13N5Na2 — CID 172854912

IUPAC—
SMILES[Na].[Na].c1ccc(Nc2ncnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C15H13N5.2Na/c1-3-7-12(8-4-1)18-14-16-11-17-15(20-14)19-13-9-5-2-6-10-13;;/h1-11H,(H2,16,17,18,19,20);;
InChIKeyYOHZEBRKHBBBFL-UHFFFAOYSA-N
MW309.28 g/mol
LogP2.60
Rot. Bonds4

About CID 172854912

CID 172854912 (PubChem CID 172854912) has the molecular formula C15H13N5Na2 and a molecular weight of 309.28 g/mol.

Molecular Properties

Compound NameCID 172854912
PubChem CID172854912
Molecular FormulaC15H13N5Na2
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Name—
SMILES[Na].[Na].c1ccc(Nc2ncnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C15H13N5.2Na/c1-3-7-12(8-4-1)18-14-16-11-17-15(20-14)19-13-9-5-2-6-10-13;;/h1-11H,(H2,16,17,18,19,20);;
InChIKeyYOHZEBRKHBBBFL-UHFFFAOYSA-N
XLogP2.60
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine
CID 18005902
2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 58933271
4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709380
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea
CID 23876655
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075
4-hydrazinyl-N-phenylpyrimidin-2-amine
CID 94672732
2-N-[2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-1,2-diphenylethenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 141338844
2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23536510
2-anilinopyrimidine-4-carbonitrile
CID 19392543
6-N-[5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]pentyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 20775300
2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159020840

Frequently Asked Questions

What is the IUPAC name of CID 172854912?
The IUPAC name of CID 172854912 (CID 172854912) is not available.
What is the SMILES notation for CID 172854912?
The canonical SMILES for CID 172854912 is [Na].[Na].c1ccc(Nc2ncnc(Nc3ccccc3)n2)cc1.
What is the InChIKey of CID 172854912?
The InChIKey is YOHZEBRKHBBBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5.2Na/c1-3-7-12(8-4-1)18-14-16-11-17-15(20-14)19-13-9-5-2-6-10-13;;/h1-11H,(H2,16,17,18,19,20);;.
What are the key properties of CID 172854912?
CID 172854912 has a molecular weight of 309.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172854912 is sourced from PubChem (CID 172854912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).