N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C15H20N4 — CID 60701805

IUPACN-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCCC2=CCCCC2)n2ncnc2c1
InChIInChI=1S/C15H20N4/c1-12-9-14(19-15(10-12)17-11-18-19)16-8-7-13-5-3-2-4-6-13/h5,9-11,16H,2-4,6-8H2,1H3
InChIKeyFZVGXMGIPDUSTA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.34
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 60701805) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID60701805
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCCC2=CCCCC2)n2ncnc2c1
InChIInChI=1S/C15H20N4/c1-12-9-14(19-15(10-12)17-11-18-19)16-8-7-13-5-3-2-4-6-13/h5,9-11,16H,2-4,6-8H2,1H3
InChIKeyFZVGXMGIPDUSTA-UHFFFAOYSA-N
XLogP3.34
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133477099
N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65028368
N,N-dimethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]ethanesulfonamide
CID 106339224
7-methyl-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103725041
3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
CID 103705226
7-methyl-N-(2-piperidin-4-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 63871172
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 112854487
2-[2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]ethoxy]acetamide
CID 114162629
N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 107164463
7-[2-(cyclohexen-1-yl)ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281799
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
CID 66106462
4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol
CID 65118331

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 60701805) is N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NCCC2=CCCCC2)n2ncnc2c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is FZVGXMGIPDUSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-9-14(19-15(10-12)17-11-18-19)16-8-7-13-5-3-2-4-6-13/h5,9-11,16H,2-4,6-8H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 256.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 60701805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).