3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide

C17H14ClN7O — CID 147017328

IUPAC3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-n2nccn2)c(Cl)nc1C(=O)NCC1=Cc2ccccc2C1
InChIInChI=1S/C17H14ClN7O/c18-14-16(25-21-5-6-22-25)24-15(19)13(23-14)17(26)20-9-10-7-11-3-1-2-4-12(11)8-10/h1-7H,8-9H2,(H2,19,24)(H,20,26)
InChIKeyAVAIVNLYTPBVJN-UHFFFAOYSA-N
MW367.80 g/mol
LogP1.66
Rot. Bonds4

About 3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide

3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide (PubChem CID 147017328) has the molecular formula C17H14ClN7O and a molecular weight of 367.80 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
PubChem CID147017328
Molecular FormulaC17H14ClN7O
Molecular Weight367.80 g/mol
Exact Mass367.09
IUPAC Name3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-n2nccn2)c(Cl)nc1C(=O)NCC1=Cc2ccccc2C1
InChIInChI=1S/C17H14ClN7O/c18-14-16(25-21-5-6-22-25)24-15(19)13(23-14)17(26)20-9-10-7-11-3-1-2-4-12(11)8-10/h1-7H,8-9H2,(H2,19,24)(H,20,26)
InChIKeyAVAIVNLYTPBVJN-UHFFFAOYSA-N
XLogP1.66
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide (CID 147017328) is 3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide is Nc1nc(-n2nccn2)c(Cl)nc1C(=O)NCC1=Cc2ccccc2C1.
What is the InChIKey of 3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is AVAIVNLYTPBVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O/c18-14-16(25-21-5-6-22-25)24-15(19)13(23-14)17(26)20-9-10-7-11-3-1-2-4-12(11)8-10/h1-7H,8-9H2,(H2,19,24)(H,20,26).
What are the key properties of 3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 1.66, 4 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-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 147017328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).