5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine

C17H21N7 — CID 11560302

IUPAC5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine
SMILESCN1CCCN(c2nc(-c3ccc4[nH]ncc4c3)cnc2N)CC1
InChIInChI=1S/C17H21N7/c1-23-5-2-6-24(8-7-23)17-16(18)19-11-15(21-17)12-3-4-14-13(9-12)10-20-22-14/h3-4,9-11H,2,5-8H2,1H3,(H2,18,19)(H,20,22)
InChIKeyTWASMYADNTXMED-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.74
Rot. Bonds2

About 5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine

5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine (PubChem CID 11560302) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine
PubChem CID11560302
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine
SMILESCN1CCCN(c2nc(-c3ccc4[nH]ncc4c3)cnc2N)CC1
InChIInChI=1S/C17H21N7/c1-23-5-2-6-24(8-7-23)17-16(18)19-11-15(21-17)12-3-4-14-13(9-12)10-20-22-14/h3-4,9-11H,2,5-8H2,1H3,(H2,18,19)(H,20,22)
InChIKeyTWASMYADNTXMED-UHFFFAOYSA-N
XLogP1.74
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine?
The IUPAC name of 5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine (CID 11560302) is 5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine is CN1CCCN(c2nc(-c3ccc4[nH]ncc4c3)cnc2N)CC1.
What is the InChIKey of 5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine?
The InChIKey is TWASMYADNTXMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-23-5-2-6-24(8-7-23)17-16(18)19-11-15(21-17)12-3-4-14-13(9-12)10-20-22-14/h3-4,9-11H,2,5-8H2,1H3,(H2,18,19)(H,20,22).
What are the key properties of 5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine?
5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine is sourced from PubChem (CID 11560302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).