2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene

C9H10N4 — CID 134158929

IUPAC2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene
SMILESc1cnc2c(c1)NC1=NCCN1C2
InChIInChI=1S/C9H10N4/c1-2-7-8(10-3-1)6-13-5-4-11-9(13)12-7/h1-3H,4-6H2,(H,11,12)
InChIKeySXSAGOBDZJOSPL-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.68
Rot. Bonds

About 2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene

2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene (PubChem CID 134158929) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene.

Molecular Properties

Compound Name2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene
PubChem CID134158929
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene
SMILESc1cnc2c(c1)NC1=NCCN1C2
InChIInChI=1S/C9H10N4/c1-2-7-8(10-3-1)6-13-5-4-11-9(13)12-7/h1-3H,4-6H2,(H,11,12)
InChIKeySXSAGOBDZJOSPL-UHFFFAOYSA-N
XLogP0.68
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene
CID 16752034
N-(1,4-dihydropyrido[3,2-d]pyrimidin-2-yl)hydroxylamine
CID 143842192
1,4-dihydro-1,5-naphthyridine-2,3-dione
CID 58564731
6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine
CID 135136200
(2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate
CID 123693373
1,2,3,4-tetrahydro-1,5-naphthyridine
CID 6917495
ethane;3-[1-(4-methylphenyl)piperidin-4-yl]-4,5-dihydro-1H-pyrido[3,2-d][1,3]diazepin-2-one
CID 145015137
2-oxo-3,4-dihydro-1H-1,5-naphthyridine-3-carboxamide
CID 141006823
4-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 50742427
6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine
CID 130470480
2,7,12-triazatricyclo[6.4.0.02,5]dodeca-1(8),9,11-trien-6-one
CID 141273952
2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine
CID 135135724

Frequently Asked Questions

What is the IUPAC name of 2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene?
The IUPAC name of 2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene (CID 134158929) is 2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene.
What is the SMILES notation for 2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene?
The canonical SMILES for 2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene is c1cnc2c(c1)NC1=NCCN1C2.
What is the InChIKey of 2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene?
The InChIKey is SXSAGOBDZJOSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-2-7-8(10-3-1)6-13-5-4-11-9(13)12-7/h1-3H,4-6H2,(H,11,12).
What are the key properties of 2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene?
2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene has a molecular weight of 174.21 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene is sourced from PubChem (CID 134158929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).