2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol

C8H14N4O — CID 91051161

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol
SMILESCc1cc(C2NCC(O)CN2)n[nH]1
InChIInChI=1S/C8H14N4O/c1-5-2-7(12-11-5)8-9-3-6(13)4-10-8/h2,6,8-10,13H,3-4H2,1H3,(H,11,12)
InChIKeyLBPUXEPLQJCNQW-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.73
Rot. Bonds1

About 2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol

2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol (PubChem CID 91051161) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol
PubChem CID91051161
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol
SMILESCc1cc(C2NCC(O)CN2)n[nH]1
InChIInChI=1S/C8H14N4O/c1-5-2-7(12-11-5)8-9-3-6(13)4-10-8/h2,6,8-10,13H,3-4H2,1H3,(H,11,12)
InChIKeyLBPUXEPLQJCNQW-UHFFFAOYSA-N
XLogP-0.73
TPSA72.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol (CID 91051161) is 2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol is Cc1cc(C2NCC(O)CN2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol?
The InChIKey is LBPUXEPLQJCNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-2-7(12-11-5)8-9-3-6(13)4-10-8/h2,6,8-10,13H,3-4H2,1H3,(H,11,12).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol?
2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol has a molecular weight of 182.23 g/mol, XLogP of -0.73, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-1,3-diazinan-5-ol is sourced from PubChem (CID 91051161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).