6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C8H13N3 — CID 177227538

IUPAC6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC(C)C1Cc2nncn2C1
InChIInChI=1S/C8H13N3/c1-6(2)7-3-8-10-9-5-11(8)4-7/h5-7H,3-4H2,1-2H3
InChIKeyKHKABIZWMLEGNC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.11
Rot. Bonds1

About 6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 177227538) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID177227538
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC(C)C1Cc2nncn2C1
InChIInChI=1S/C8H13N3/c1-6(2)7-3-8-10-9-5-11(8)4-7/h5-7H,3-4H2,1-2H3
InChIKeyKHKABIZWMLEGNC-UHFFFAOYSA-N
XLogP1.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 177227339
6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 129061172
ethane;2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 177136134
2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one
CID 164651796
2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 145392855
5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 170079612
2-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 155701352
2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 64576761
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine
CID 64579463
8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
CID 24846477
methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
CID 165444569
2-(3-propan-2-ylazetidin-1-yl)pyrimidine
CID 130933035

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 177227538) is 6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is CC(C)C1Cc2nncn2C1.
What is the InChIKey of 6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is KHKABIZWMLEGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(2)7-3-8-10-9-5-11(8)4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 151.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 177227538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).