3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C10H13N5 — CID 71833016

IUPAC3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1ccn(Cc2nnc3n2CCC3)n1
InChIInChI=1S/C10H13N5/c1-8-4-6-14(13-8)7-10-12-11-9-3-2-5-15(9)10/h4,6H,2-3,5,7H2,1H3
InChIKeyZIHQDIBPVIRJEQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.78
Rot. Bonds2

About 3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 71833016) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID71833016
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1ccn(Cc2nnc3n2CCC3)n1
InChIInChI=1S/C10H13N5/c1-8-4-6-14(13-8)7-10-12-11-9-3-2-5-15(9)10/h4,6H,2-3,5,7H2,1H3
InChIKeyZIHQDIBPVIRJEQ-UHFFFAOYSA-N
XLogP0.78
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,5-dimethylpyrazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 113220710
3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 146091931
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methylaniline
CID 54920883
3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 56869815
3-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 121185432
3-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 167772878
3-[(3,5-dibromopyrazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 107078584
3-(2,2-dimethylpropyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 146137274
1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]propan-1-ol
CID 107078682
3-[(5-bromo-3-propan-2-ylpyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 136560748
3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 113361809
N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]acetamide
CID 166219106

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 71833016) is 3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Cc1ccn(Cc2nnc3n2CCC3)n1.
What is the InChIKey of 3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is ZIHQDIBPVIRJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-8-4-6-14(13-8)7-10-12-11-9-3-2-5-15(9)10/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 203.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 71833016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).