N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine

C16H25N5 — CID 115306802

IUPACN-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
SMILESCc1ccn2nc(NCCNC3CCCCCC3)nc2c1
InChIInChI=1S/C16H25N5/c1-13-8-11-21-15(12-13)19-16(20-21)18-10-9-17-14-6-4-2-3-5-7-14/h8,11-12,14,17H,2-7,9-10H2,1H3,(H,18,20)
InChIKeyDHFMHJWLFHVFCY-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.76
Rot. Bonds5

About N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine

N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine (PubChem CID 115306802) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
PubChem CID115306802
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
SMILESCc1ccn2nc(NCCNC3CCCCCC3)nc2c1
InChIInChI=1S/C16H25N5/c1-13-8-11-21-15(12-13)19-16(20-21)18-10-9-17-14-6-4-2-3-5-7-14/h8,11-12,14,17H,2-7,9-10H2,1H3,(H,18,20)
InChIKeyDHFMHJWLFHVFCY-UHFFFAOYSA-N
XLogP2.76
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026994
7-methyl-N-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83026136
N-(2,6-dimethylpiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83026621
7-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 80688541
[1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]cyclohexyl]methanol
CID 103967254
(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116989782
2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol
CID 114332664
2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol
CID 114009070
7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83025761
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 105358113
2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol
CID 114010695
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine (CID 115306802) is N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine is Cc1ccn2nc(NCCNC3CCCCCC3)nc2c1.
What is the InChIKey of N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine?
The InChIKey is DHFMHJWLFHVFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-13-8-11-21-15(12-13)19-16(20-21)18-10-9-17-14-6-4-2-3-5-7-14/h8,11-12,14,17H,2-7,9-10H2,1H3,(H,18,20).
What are the key properties of N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine?
N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine has a molecular weight of 287.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115306802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).