3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide

C16H14ClN7O — CID 121351001

IUPAC3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-n2nccn2)c(Cl)nc1C(=O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C16H14ClN7O/c17-13-15(24-19-7-8-20-24)23-14(18)12(22-13)16(25)21-11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6H2,(H2,18,23)(H,21,25)/t11-/m1/s1
InChIKeyNMJWAUBOUWEYIT-LLVKDONJSA-N
MW355.79 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide

3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351001) has the molecular formula C16H14ClN7O and a molecular weight of 355.79 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide
PubChem CID121351001
Molecular FormulaC16H14ClN7O
Molecular Weight355.79 g/mol
Exact Mass355.09
IUPAC Name3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-n2nccn2)c(Cl)nc1C(=O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C16H14ClN7O/c17-13-15(24-19-7-8-20-24)23-14(18)12(22-13)16(25)21-11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6H2,(H2,18,23)(H,21,25)/t11-/m1/s1
InChIKeyNMJWAUBOUWEYIT-LLVKDONJSA-N
XLogP1.71
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 145085933
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
2-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072951
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 126432000
N-(2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 59159975
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
6-(2-aminopyrimidin-5-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 125010026

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide (CID 121351001) is 3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide is Nc1nc(-n2nccn2)c(Cl)nc1C(=O)N[C@@H]1CCc2ccccc21.
What is the InChIKey of 3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is NMJWAUBOUWEYIT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14ClN7O/c17-13-15(24-19-7-8-20-24)23-14(18)12(22-13)16(25)21-11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6H2,(H2,18,23)(H,21,25)/t11-/m1/s1.
What are the key properties of 3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 355.79 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).