12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine

C17H15N5S — CID 70942409

IUPAC12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
SMILESNc1cc2c(cn1)[nH]c1ncc(-c3cc4c(s3)CCNC4)cc12
InChIInChI=1S/C17H15N5S/c18-16-5-11-12-3-9(7-21-17(12)22-13(11)8-20-16)15-4-10-6-19-2-1-14(10)23-15/h3-5,7-8,19H,1-2,6H2,(H2,18,20)(H,21,22)
InChIKeyHRWKCSZXUJGZJJ-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.07
Rot. Bonds1

About 12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine

12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine (PubChem CID 70942409) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine.

Molecular Properties

Compound Name12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
PubChem CID70942409
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
SMILESNc1cc2c(cn1)[nH]c1ncc(-c3cc4c(s3)CCNC4)cc12
InChIInChI=1S/C17H15N5S/c18-16-5-11-12-3-9(7-21-17(12)22-13(11)8-20-16)15-4-10-6-19-2-1-14(10)23-15/h3-5,7-8,19H,1-2,6H2,(H2,18,20)(H,21,22)
InChIKeyHRWKCSZXUJGZJJ-UHFFFAOYSA-N
XLogP3.07
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine with MolForge

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Related Compounds

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Ikk-IN-3
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CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
N-(2-Aminoethyl)-5-{2-Methyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl}thiophene-2-Sulfonamide
CID 25118862
12-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 44546167
12-[4-(Piperidin-1-ylmethyl)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44546493
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-2-sulfonamide
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6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
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CID 10705898

Frequently Asked Questions

What is the IUPAC name of 12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine?
The IUPAC name of 12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine (CID 70942409) is 12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine.
What is the SMILES notation for 12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine?
The canonical SMILES for 12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine is Nc1cc2c(cn1)[nH]c1ncc(-c3cc4c(s3)CCNC4)cc12.
What is the InChIKey of 12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine?
The InChIKey is HRWKCSZXUJGZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c18-16-5-11-12-3-9(7-21-17(12)22-13(11)8-20-16)15-4-10-6-19-2-1-14(10)23-15/h3-5,7-8,19H,1-2,6H2,(H2,18,20)(H,21,22).
What are the key properties of 12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine?
12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine has a molecular weight of 321.41 g/mol, XLogP of 3.07, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine is sourced from PubChem (CID 70942409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).