1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane

C10H19N5 — CID 70105282

IUPAC1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane
SMILESc1cc(CN2CCNCCNCC2)[nH]n1
InChIInChI=1S/C10H19N5/c1-2-13-14-10(1)9-15-7-5-11-3-4-12-6-8-15/h1-2,11-12H,3-9H2,(H,13,14)
InChIKeyDOFWPSQXGTXHAD-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.60
Rot. Bonds2

About 1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane

1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane (PubChem CID 70105282) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane
PubChem CID70105282
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane
SMILESc1cc(CN2CCNCCNCC2)[nH]n1
InChIInChI=1S/C10H19N5/c1-2-13-14-10(1)9-15-7-5-11-3-4-12-6-8-15/h1-2,11-12H,3-9H2,(H,13,14)
InChIKeyDOFWPSQXGTXHAD-UHFFFAOYSA-N
XLogP-0.60
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane?
The IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane (CID 70105282) is 1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane.
What is the SMILES notation for 1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane?
The canonical SMILES for 1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane is c1cc(CN2CCNCCNCC2)[nH]n1.
What is the InChIKey of 1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane?
The InChIKey is DOFWPSQXGTXHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-13-14-10(1)9-15-7-5-11-3-4-12-6-8-15/h1-2,11-12H,3-9H2,(H,13,14).
What are the key properties of 1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane?
1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane has a molecular weight of 209.30 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylmethyl)-1,4,7-triazonane is sourced from PubChem (CID 70105282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).