3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine

C20H21N7 — CID 147837319

IUPAC3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine
SMILESNc1nccnc1Cc1cc(-c2ccc3c(n2)N[C@H]2CCCN3C2)ccn1
InChIInChI=1S/C20H21N7/c21-19-17(23-7-8-24-19)11-15-10-13(5-6-22-15)16-3-4-18-20(26-16)25-14-2-1-9-27(18)12-14/h3-8,10,14H,1-2,9,11-12H2,(H2,21,24)(H,25,26)/t14-/m0/s1
InChIKeyHSGVNFJSXRKUMN-AWEZNQCLSA-N
MW359.44 g/mol
LogP2.50
Rot. Bonds3

About 3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine

3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine (PubChem CID 147837319) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine
PubChem CID147837319
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine
SMILESNc1nccnc1Cc1cc(-c2ccc3c(n2)N[C@H]2CCCN3C2)ccn1
InChIInChI=1S/C20H21N7/c21-19-17(23-7-8-24-19)11-15-10-13(5-6-22-15)16-3-4-18-20(26-16)25-14-2-1-9-27(18)12-14/h3-8,10,14H,1-2,9,11-12H2,(H2,21,24)(H,25,26)/t14-/m0/s1
InChIKeyHSGVNFJSXRKUMN-AWEZNQCLSA-N
XLogP2.50
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine?
The IUPAC name of 3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine (CID 147837319) is 3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine is Nc1nccnc1Cc1cc(-c2ccc3c(n2)N[C@H]2CCCN3C2)ccn1.
What is the InChIKey of 3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine?
The InChIKey is HSGVNFJSXRKUMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N7/c21-19-17(23-7-8-24-19)11-15-10-13(5-6-22-15)16-3-4-18-20(26-16)25-14-2-1-9-27(18)12-14/h3-8,10,14H,1-2,9,11-12H2,(H2,21,24)(H,25,26)/t14-/m0/s1.
What are the key properties of 3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine?
3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine has a molecular weight of 359.44 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(9S)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl]-2-pyridinyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 147837319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).