6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane

C21H39N7O2 — CID 145225030

IUPAC6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane
SMILESCC.CC.CCC.CN1C(=O)CCCn2nccc21.NC(=O)c1nc2n(n1)CCC2
InChIInChI=1S/C8H11N3O.C6H8N4O.C3H8.2C2H6/c1-10-7-4-5-9-11(7)6-2-3-8(10)12;7-5(11)6-8-4-2-1-3-10(4)9-6;1-3-2;2*1-2/h4-5H,2-3,6H2,1H3;1-3H2,(H2,7,11);3H2,1-2H3;2*1-2H3
InChIKeyBISWQGYVQZOBFZ-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.43
Rot. Bonds1

About 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane

6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane (PubChem CID 145225030) has the molecular formula C21H39N7O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane
PubChem CID145225030
Molecular FormulaC21H39N7O2
Molecular Weight421.59 g/mol
Exact Mass421.32
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane
SMILESCC.CC.CCC.CN1C(=O)CCCn2nccc21.NC(=O)c1nc2n(n1)CCC2
InChIInChI=1S/C8H11N3O.C6H8N4O.C3H8.2C2H6/c1-10-7-4-5-9-11(7)6-2-3-8(10)12;7-5(11)6-8-4-2-1-3-10(4)9-6;1-3-2;2*1-2/h4-5H,2-3,6H2,1H3;1-3H2,(H2,7,11);3H2,1-2H3;2*1-2H3
InChIKeyBISWQGYVQZOBFZ-UHFFFAOYSA-N
XLogP3.43
TPSA111.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane (CID 145225030) is 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane is CC.CC.CCC.CN1C(=O)CCCn2nccc21.NC(=O)c1nc2n(n1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane?
The InChIKey is BISWQGYVQZOBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.C6H8N4O.C3H8.2C2H6/c1-10-7-4-5-9-11(7)6-2-3-8(10)12;7-5(11)6-8-4-2-1-3-10(4)9-6;1-3-2;2*1-2/h4-5H,2-3,6H2,1H3;1-3H2,(H2,7,11);3H2,1-2H3;2*1-2H3.
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane?
6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane has a molecular weight of 421.59 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane is sourced from PubChem (CID 145225030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).