[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine

C15H26N6 — CID 80904341

IUPAC[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1N1CCCN2CCCC2C1
InChIInChI=1S/C15H26N6/c1-2-5-13-14(19-16)17-11-18-15(13)21-9-4-8-20-7-3-6-12(20)10-21/h11-12H,2-10,16H2,1H3,(H,17,18,19)
InChIKeyQWMBQHMUFZMJBN-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.39
Rot. Bonds4

About [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine

[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine (PubChem CID 80904341) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine
PubChem CID80904341
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1N1CCCN2CCCC2C1
InChIInChI=1S/C15H26N6/c1-2-5-13-14(19-16)17-11-18-15(13)21-9-4-8-20-7-3-6-12(20)10-21/h11-12H,2-10,16H2,1H3,(H,17,18,19)
InChIKeyQWMBQHMUFZMJBN-UHFFFAOYSA-N
XLogP1.39
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine (CID 80904341) is [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine is CCCc1c(NN)ncnc1N1CCCN2CCCC2C1.
What is the InChIKey of [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine?
The InChIKey is QWMBQHMUFZMJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-2-5-13-14(19-16)17-11-18-15(13)21-9-4-8-20-7-3-6-12(20)10-21/h11-12H,2-10,16H2,1H3,(H,17,18,19).
What are the key properties of [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine?
[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine has a molecular weight of 290.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80904341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).