13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride

C19H23ClN6 — CID 118483962

IUPAC13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride
SMILESCCC1/C(N)=N/Cc2ccccc2/N=N/c2ccccc2C/N=C\1N.Cl
InChIInChI=1S/C19H22N6.ClH/c1-2-15-18(20)22-11-13-7-3-5-9-16(13)24-25-17-10-6-4-8-14(17)12-23-19(15)21;/h3-10,15H,2,11-12H2,1H3,(H2,20,22)(H2,21,23);1H/b25-24+;
InChIKeyKGWSLTBRIVEAHU-QREUMGABSA-N
MW370.89 g/mol
LogP4.28
Rot. Bonds1

About 13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride

13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride (PubChem CID 118483962) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is 13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride.

Molecular Properties

Compound Name13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride
PubChem CID118483962
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC Name13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride
SMILESCCC1/C(N)=N/Cc2ccccc2/N=N/c2ccccc2C/N=C\1N.Cl
InChIInChI=1S/C19H22N6.ClH/c1-2-15-18(20)22-11-13-7-3-5-9-16(13)24-25-17-10-6-4-8-14(17)12-23-19(15)21;/h3-10,15H,2,11-12H2,1H3,(H2,20,22)(H2,21,23);1H/b25-24+;
InChIKeyKGWSLTBRIVEAHU-QREUMGABSA-N
XLogP4.28
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride?
The IUPAC name of 13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride (CID 118483962) is 13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride.
What is the SMILES notation for 13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride?
The canonical SMILES for 13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride is CCC1/C(N)=N/Cc2ccccc2/N=N/c2ccccc2C/N=C\1N.Cl.
What is the InChIKey of 13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride?
The InChIKey is KGWSLTBRIVEAHU-QREUMGABSA-N. The full InChI is InChI=1S/C19H22N6.ClH/c1-2-15-18(20)22-11-13-7-3-5-9-16(13)24-25-17-10-6-4-8-14(17)12-23-19(15)21;/h3-10,15H,2,11-12H2,1H3,(H2,20,22)(H2,21,23);1H/b25-24+;.
What are the key properties of 13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride?
13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride has a molecular weight of 370.89 g/mol, XLogP of 4.28, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-2,3,11,15-tetrazatricyclo[15.4.0.04,9]henicosa-1(21),2,4,6,8,11,14,17,19-nonaene-12,14-diamine;hydrochloride is sourced from PubChem (CID 118483962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).