4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C10H18N6 — CID 66242380

IUPAC4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCn1nnnc1N1CC2CNCC2C1(C)C
InChIInChI=1S/C10H18N6/c1-10(2)8-5-11-4-7(8)6-16(10)9-12-13-14-15(9)3/h7-8,11H,4-6H2,1-3H3
InChIKeyVHHPSGUXXUOYIU-UHFFFAOYSA-N
MW222.30 g/mol
LogP-0.36
Rot. Bonds1

About 4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66242380) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66242380
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCn1nnnc1N1CC2CNCC2C1(C)C
InChIInChI=1S/C10H18N6/c1-10(2)8-5-11-4-7(8)6-16(10)9-12-13-14-15(9)3/h7-8,11H,4-6H2,1-3H3
InChIKeyVHHPSGUXXUOYIU-UHFFFAOYSA-N
XLogP-0.36
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66242380) is 4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cn1nnnc1N1CC2CNCC2C1(C)C.
What is the InChIKey of 4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is VHHPSGUXXUOYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-10(2)8-5-11-4-7(8)6-16(10)9-12-13-14-15(9)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 222.30 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(1-methyltetrazol-5-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66242380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).