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

C14H19N7O — CID 42453777

IUPACN-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)Cn1cncn1
InChIInChI=1S/C14H19N7O/c1-20(2)14-16-6-10-11(4-3-5-12(10)19-14)18-13(22)7-21-9-15-8-17-21/h6,8-9,11H,3-5,7H2,1-2H3,(H,18,22)/t11-/m0/s1
InChIKeyFFPXVUCTVBOFFW-NSHDSACASA-N
MW301.35 g/mol
LogP0.33
Rot. Bonds4

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

N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 42453777) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID42453777
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)Cn1cncn1
InChIInChI=1S/C14H19N7O/c1-20(2)14-16-6-10-11(4-3-5-12(10)19-14)18-13(22)7-21-9-15-8-17-21/h6,8-9,11H,3-5,7H2,1-2H3,(H,18,22)/t11-/m0/s1
InChIKeyFFPXVUCTVBOFFW-NSHDSACASA-N
XLogP0.33
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide with MolForge

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Related Compounds

N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 42453782
N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42473455
N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide
CID 25303679
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methoxyacetamide
CID 45187910
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 45234636
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide
CID 72861433
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide
CID 72875985
N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 97121248
(5R)-5-N-cyclopentyl-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 25379086
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide
CID 72931703
2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95384913
2-(3-methylpyrazol-1-yl)-N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 56731455

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide (CID 42453777) is N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide is CN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)Cn1cncn1.
What is the InChIKey of N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is FFPXVUCTVBOFFW-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N7O/c1-20(2)14-16-6-10-11(4-3-5-12(10)19-14)18-13(22)7-21-9-15-8-17-21/h6,8-9,11H,3-5,7H2,1-2H3,(H,18,22)/t11-/m0/s1.
What are the key properties of N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 42453777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).