N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide

C15H21N7O — CID 42473455

IUPACN-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(C)c1ncc2c(n1)CCC[C@H]2NC(=O)CCn1cncn1
InChIInChI=1S/C15H21N7O/c1-21(2)15-17-8-11-12(4-3-5-13(11)20-15)19-14(23)6-7-22-10-16-9-18-22/h8-10,12H,3-7H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyNPWXALLRUYATTQ-GFCCVEGCSA-N
MW315.38 g/mol
LogP0.72
Rot. Bonds5

About N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42473455) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID42473455
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC NameN-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(C)c1ncc2c(n1)CCC[C@H]2NC(=O)CCn1cncn1
InChIInChI=1S/C15H21N7O/c1-21(2)15-17-8-11-12(4-3-5-13(11)20-15)19-14(23)6-7-22-10-16-9-18-22/h8-10,12H,3-7H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyNPWXALLRUYATTQ-GFCCVEGCSA-N
XLogP0.72
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide 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-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 42453777
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-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide
CID 72861433
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
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
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31336256
(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
N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 94555730

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 42473455) is N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide is CN(C)c1ncc2c(n1)CCC[C@H]2NC(=O)CCn1cncn1.
What is the InChIKey of N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is NPWXALLRUYATTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N7O/c1-21(2)15-17-8-11-12(4-3-5-13(11)20-15)19-14(23)6-7-22-10-16-9-18-22/h8-10,12H,3-7H2,1-2H3,(H,19,23)/t12-/m1/s1.
What are the key properties of N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 315.38 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42473455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).