N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C12H20N4 — CID 104582927

IUPACN-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESC=CCCC(C)NC1CCCn2ncnc21
InChIInChI=1S/C12H20N4/c1-3-4-6-10(2)15-11-7-5-8-16-12(11)13-9-14-16/h3,9-11,15H,1,4-8H2,2H3
InChIKeyMWMNTNZSBNGDRR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.06
Rot. Bonds5

About N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 104582927) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID104582927
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESC=CCCC(C)NC1CCCn2ncnc21
InChIInChI=1S/C12H20N4/c1-3-4-6-10(2)15-11-7-5-8-16-12(11)13-9-14-16/h3,9-11,15H,1,4-8H2,2H3
InChIKeyMWMNTNZSBNGDRR-UHFFFAOYSA-N
XLogP2.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 104582927) is N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is C=CCCC(C)NC1CCCn2ncnc21.
What is the InChIKey of N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is MWMNTNZSBNGDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-4-6-10(2)15-11-7-5-8-16-12(11)13-9-14-16/h3,9-11,15H,1,4-8H2,2H3.
What are the key properties of N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 220.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 104582927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).