3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride

C9H18Cl2N4 — CID 71756774

IUPAC3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1nnc2n1CCCC2
InChIInChI=1S/C9H16N4.2ClH/c10-6-3-5-9-12-11-8-4-1-2-7-13(8)9;;/h1-7,10H2;2*1H
InChIKeyYPKRLPYHJBOQMB-UHFFFAOYSA-N
MW253.18 g/mol
LogP1.35
Rot. Bonds3

About 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride

3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride (PubChem CID 71756774) has the molecular formula C9H18Cl2N4 and a molecular weight of 253.18 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride
PubChem CID71756774
Molecular FormulaC9H18Cl2N4
Molecular Weight253.18 g/mol
Exact Mass252.09
IUPAC Name3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1nnc2n1CCCC2
InChIInChI=1S/C9H16N4.2ClH/c10-6-3-5-9-12-11-8-4-1-2-7-13(8)9;;/h1-7,10H2;2*1H
InChIKeyYPKRLPYHJBOQMB-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride (CID 71756774) is 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride is Cl.Cl.NCCCc1nnc2n1CCCC2.
What is the InChIKey of 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride?
The InChIKey is YPKRLPYHJBOQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.2ClH/c10-6-3-5-9-12-11-8-4-1-2-7-13(8)9;;/h1-7,10H2;2*1H.
What are the key properties of 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride?
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride has a molecular weight of 253.18 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 71756774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).