3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole

C10H14N6 — CID 144979256

IUPAC3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCN1Cc2nc(-c3ncn(C)n3)n(C)c2C1
InChIInChI=1S/C10H14N6/c1-14-4-7-8(5-14)16(3)10(12-7)9-11-6-15(2)13-9/h6H,4-5H2,1-3H3
InChIKeySYLAAORTEDTISM-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.16
Rot. Bonds1

About 3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole

3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 144979256) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID144979256
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCN1Cc2nc(-c3ncn(C)n3)n(C)c2C1
InChIInChI=1S/C10H14N6/c1-14-4-7-8(5-14)16(3)10(12-7)9-11-6-15(2)13-9/h6H,4-5H2,1-3H3
InChIKeySYLAAORTEDTISM-UHFFFAOYSA-N
XLogP0.16
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole (CID 144979256) is 3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole is CN1Cc2nc(-c3ncn(C)n3)n(C)c2C1.
What is the InChIKey of 3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is SYLAAORTEDTISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-14-4-7-8(5-14)16(3)10(12-7)9-11-6-15(2)13-9/h6H,4-5H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 218.26 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 144979256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).