N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide

C19H21N7O — CID 72875985

About N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 72875985) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide
• PubChem CID: 72875985
• Molecular Formula: C19H21N7O
• Molecular Weight: 363.43 g/mol
• Exact Mass: 363.18
• IUPAC Name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide
• SMILES: CN(C)c1ncc2c(n1)CCCC2NC(=O)c1ccc(-c2ncn[nH]2)cc1
• InChI: InChI=1S/C19H21N7O/c1-26(2)19-20-10-14-15(4-3-5-16(14)24-19)23-18(27)13-8-6-12(7-9-13)17-21-11-22-25-17/h6-11,15H,3-5H2,1-2H3,(H,23,27)(H,21,22,25)
• InChIKey: WAGDBLFBTTZUGQ-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 99.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.43
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide?

The IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide (CID 72875985) is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide.

What is the SMILES notation for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide?

The canonical SMILES for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide is CN(C)c1ncc2c(n1)CCCC2NC(=O)c1ccc(-c2ncn[nH]2)cc1.

What is the InChIKey of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide?

The InChIKey is WAGDBLFBTTZUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-26(2)19-20-10-14-15(4-3-5-16(14)24-19)23-18(27)13-8-6-12(7-9-13)17-21-11-22-25-17/h6-11,15H,3-5H2,1-2H3,(H,23,27)(H,21,22,25).

What are the key properties of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide?

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 363.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 72875985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).