1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine

C15H25N5 — CID 559315

IUPAC1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccc2nncn2c1
InChIInChI=1S/C15H25N5/c1-4-19(5-2)10-6-7-13(3)17-14-8-9-15-18-16-12-20(15)11-14/h8-9,11-13,17H,4-7,10H2,1-3H3
InChIKeySSOYMRYBOVYJGE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.65
Rot. Bonds8

About 1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine (PubChem CID 559315) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine
PubChem CID559315
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccc2nncn2c1
InChIInChI=1S/C15H25N5/c1-4-19(5-2)10-6-7-13(3)17-14-8-9-15-18-16-12-20(15)11-14/h8-9,11-13,17H,4-7,10H2,1-3H3
InChIKeySSOYMRYBOVYJGE-UHFFFAOYSA-N
XLogP2.65
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine (CID 559315) is 1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1ccc2nncn2c1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine?
The InChIKey is SSOYMRYBOVYJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-19(5-2)10-6-7-13(3)17-14-8-9-15-18-16-12-20(15)11-14/h8-9,11-13,17H,4-7,10H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine has a molecular weight of 275.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine is sourced from PubChem (CID 559315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).