8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane]

C14H18N4 — CID 142978817

IUPAC8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane]
SMILESCn1c2c(c3ncncc31)C1(CCCC1)CNC2
InChIInChI=1S/C14H18N4/c1-18-10-6-15-8-14(4-2-3-5-14)12(10)13-11(18)7-16-9-17-13/h7,9,15H,2-6,8H2,1H3
InChIKeyZZZWXCSWJMBPRJ-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.88
Rot. Bonds

About 8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane]

8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane] (PubChem CID 142978817) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane].

Molecular Properties

Compound Name8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane]
PubChem CID142978817
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane]
SMILESCn1c2c(c3ncncc31)C1(CCCC1)CNC2
InChIInChI=1S/C14H18N4/c1-18-10-6-15-8-14(4-2-3-5-14)12(10)13-11(18)7-16-9-17-13/h7,9,15H,2-6,8H2,1H3
InChIKeyZZZWXCSWJMBPRJ-UHFFFAOYSA-N
XLogP1.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane] with MolForge

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Related Compounds

CID 58669992
CID 58669992
1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]
CID 96617702
spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane]
CID 96606167
2-azaspiro[4.4]nonan-4-one
CID 21494522
7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 59593072
8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one
CID 178079149
2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074133
8-[4-[4-(3,5,8,11,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-yl)phenyl]phenyl]-3,5,8,11,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 59653619
9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one
CID 142742460
1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
CID 105370009
7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride
CID 71743448
spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cyclopropane]
CID 96633509

Frequently Asked Questions

What is the IUPAC name of 8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane]?
The IUPAC name of 8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane] (CID 142978817) is 8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane].
What is the SMILES notation for 8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane]?
The canonical SMILES for 8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane] is Cn1c2c(c3ncncc31)C1(CCCC1)CNC2.
What is the InChIKey of 8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane]?
The InChIKey is ZZZWXCSWJMBPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-18-10-6-15-8-14(4-2-3-5-14)12(10)13-11(18)7-16-9-17-13/h7,9,15H,2-6,8H2,1H3.
What are the key properties of 8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane]?
8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane] has a molecular weight of 242.33 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane] is sourced from PubChem (CID 142978817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).