3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene

C74H123N11OS — CID 157062422

About 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene

3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene (PubChem CID 157062422) has the molecular formula C74H123N11OS and a molecular weight of 1214.94 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene.

Molecular Properties

• Compound Name: 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene
• PubChem CID: 157062422
• Molecular Formula: C74H123N11OS
• Molecular Weight: 1214.94 g/mol
• Exact Mass: 1213.96
• IUPAC Name: 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnncn1.Cc1ncncn1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2ccccc2c1
• InChI: InChI=1S/C10H8.C9H10O.C9H10S.C6H7N.2C5H6N2.2C4H5N3.11C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;11*1-2/h1-8H;2*1-2,4,6H,3,5,7H2;2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3;11*1-2H3
• InChIKey: ABMDDKMCCVJYKK-UHFFFAOYSA-N
• XLogP: 22.18
• TPSA: 151.02 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1214.94
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene?

The IUPAC name of 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene (CID 157062422) is 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene.

What is the SMILES notation for 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene?

The canonical SMILES for 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnncn1.Cc1ncncn1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2ccccc2c1.

What is the InChIKey of 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene?

The InChIKey is ABMDDKMCCVJYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H10O.C9H10S.C6H7N.2C5H6N2.2C4H5N3.11C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;11*1-2/h1-8H;2*1-2,4,6H,3,5,7H2;2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3;11*1-2H3.

What are the key properties of 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene?

3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene has a molecular weight of 1214.94 g/mol, XLogP of 22.18, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene is sourced from PubChem (CID 157062422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).