14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride

C15H14ClN5 — CID 134093989

IUPAC14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride
SMILESCl.Nc1nc(N)c2cc3c(nc2n1)-c1ccccc1CC3
InChIInChI=1S/C15H13N5.ClH/c16-13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)18-14(11)20-15(17)19-13;/h1-4,7H,5-6H2,(H4,16,17,18,19,20);1H
InChIKeyMBGABWRVHHSDEK-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.38
Rot. Bonds

About 14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride

14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride (PubChem CID 134093989) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride.

Molecular Properties

Compound Name14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride
PubChem CID134093989
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride
SMILESCl.Nc1nc(N)c2cc3c(nc2n1)-c1ccccc1CC3
InChIInChI=1S/C15H13N5.ClH/c16-13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)18-14(11)20-15(17)19-13;/h1-4,7H,5-6H2,(H4,16,17,18,19,20);1H
InChIKeyMBGABWRVHHSDEK-UHFFFAOYSA-N
XLogP2.38
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride with MolForge

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Related Compounds

15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one
CID 135513803
14-methyl-15-methylsulfanyl-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one
CID 10614846
2-azapentacyclo[13.9.0.03,13.04,9.019,24]tetracosa-1,3(13),4,6,8,14,19,21,23-nonaene
CID 162691751
5,6-dihydrobenzo[c]acridine
CID 1482217
2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine
CID 10104269
15-sulfanylidene-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17)-hexaen-13-one
CID 10755271
22-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,12,16,18,20-nonaen-15-one
CID 102409116
3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine
CID 142710262
5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione
CID 10422753
ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane
CID 159745958
11-fluoro-5,6-dihydrobenzo[c]acridine
CID 5260555
4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine
CID 170794640

Frequently Asked Questions

What is the IUPAC name of 14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride?
The IUPAC name of 14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride (CID 134093989) is 14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride.
What is the SMILES notation for 14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride?
The canonical SMILES for 14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride is Cl.Nc1nc(N)c2cc3c(nc2n1)-c1ccccc1CC3.
What is the InChIKey of 14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride?
The InChIKey is MBGABWRVHHSDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5.ClH/c16-13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)18-14(11)20-15(17)19-13;/h1-4,7H,5-6H2,(H4,16,17,18,19,20);1H.
What are the key properties of 14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride?
14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride has a molecular weight of 299.77 g/mol, XLogP of 2.38, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride is sourced from PubChem (CID 134093989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).