5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine

C13H12ClN3 — CID 169260324

IUPAC5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESClc1cnc(N[C@H]2CCc3ccccc32)cn1
InChIInChI=1S/C13H12ClN3/c14-12-7-16-13(8-15-12)17-11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6H2,(H,16,17)/t11-/m0/s1
InChIKeyVSTWJHOKDSSPNO-NSHDSACASA-N
MW245.71 g/mol
LogP3.23
Rot. Bonds2

About 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine

5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (PubChem CID 169260324) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
PubChem CID169260324
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESClc1cnc(N[C@H]2CCc3ccccc32)cn1
InChIInChI=1S/C13H12ClN3/c14-12-7-16-13(8-15-12)17-11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6H2,(H,16,17)/t11-/m0/s1
InChIKeyVSTWJHOKDSSPNO-NSHDSACASA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The IUPAC name of 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (CID 169260324) is 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is Clc1cnc(N[C@H]2CCc3ccccc32)cn1.
What is the InChIKey of 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The InChIKey is VSTWJHOKDSSPNO-NSHDSACASA-N. The full InChI is InChI=1S/C13H12ClN3/c14-12-7-16-13(8-15-12)17-11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6H2,(H,16,17)/t11-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine has a molecular weight of 245.71 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is sourced from PubChem (CID 169260324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).