6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid

C14H13N3O2 — CID 66458124

IUPAC6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H13N3O2/c18-14(19)12-7-15-8-13(17-12)16-11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,16,17)(H,18,19)
InChIKeyAERUGGSAWXIXCM-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.41
Rot. Bonds3

About 6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid

6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid (PubChem CID 66458124) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid
PubChem CID66458124
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H13N3O2/c18-14(19)12-7-15-8-13(17-12)16-11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,16,17)(H,18,19)
InChIKeyAERUGGSAWXIXCM-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
CID 66458122
6-(4-butylanilino)pyrazine-2-carboxylic acid
CID 66457204
[6-(2,3-dihydro-1H-inden-5-ylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 4582787
5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid
CID 64630485
6-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2,6-diamine
CID 80646724
4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine
CID 80763581
N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine
CID 61227803
5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine
CID 114285823
1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazine-2-carboxamide
CID 110792487
methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
CID 66457541
N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80927045

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid (CID 66458124) is 6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid is O=C(O)c1cncc(Nc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is AERUGGSAWXIXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-14(19)12-7-15-8-13(17-12)16-11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,16,17)(H,18,19).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid?
6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66458124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).