7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C15H23N7 — CID 12671251

IUPAC7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2ncnn2c2c1CCN2CCN1CCN(C)CC1
InChIInChI=1S/C15H23N7/c1-12-13-3-4-21(10-9-20-7-5-19(2)6-8-20)14(13)22-15(18-12)16-11-17-22/h11H,3-10H2,1-2H3
InChIKeyKCEOIJQZFNKQHB-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.04
Rot. Bonds3

About 7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 12671251) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID12671251
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2ncnn2c2c1CCN2CCN1CCN(C)CC1
InChIInChI=1S/C15H23N7/c1-12-13-3-4-21(10-9-20-7-5-19(2)6-8-20)14(13)22-15(18-12)16-11-17-22/h11H,3-10H2,1-2H3
InChIKeyKCEOIJQZFNKQHB-UHFFFAOYSA-N
XLogP0.04
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 12671251) is 7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is Cc1nc2ncnn2c2c1CCN2CCN1CCN(C)CC1.
What is the InChIKey of 7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is KCEOIJQZFNKQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-12-13-3-4-21(10-9-20-7-5-19(2)6-8-20)14(13)22-15(18-12)16-11-17-22/h11H,3-10H2,1-2H3.
What are the key properties of 7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 301.40 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 12671251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).