N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H17N5O2 — CID 78855258

IUPACN-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)N(CCO)Cc3ccccc3)nn12
InChIInChI=1S/C16H17N5O2/c1-12-7-8-17-16-18-14(19-21(12)16)15(23)20(9-10-22)11-13-5-3-2-4-6-13/h2-8,22H,9-11H2,1H3
InChIKeyGLWVJUYQOYJZGB-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.07
Rot. Bonds5

About N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 78855258) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID78855258
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)N(CCO)Cc3ccccc3)nn12
InChIInChI=1S/C16H17N5O2/c1-12-7-8-17-16-18-14(19-21(12)16)15(23)20(9-10-22)11-13-5-3-2-4-6-13/h2-8,22H,9-11H2,1H3
InChIKeyGLWVJUYQOYJZGB-UHFFFAOYSA-N
XLogP1.07
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-[(2R)-butan-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51515411
N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 78840756
N-(3-aminopropyl)-N-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 120649689
N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2476813
7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51275569
N-[(4-cyanophenyl)methyl]-7-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 55993414
N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796020
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509
N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 26251513
N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18193252
2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid
CID 66165203
7-methyl-N-[2-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190009

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 78855258) is N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)N(CCO)Cc3ccccc3)nn12.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GLWVJUYQOYJZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-12-7-8-17-16-18-14(19-21(12)16)15(23)20(9-10-22)11-13-5-3-2-4-6-13/h2-8,22H,9-11H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 78855258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).