N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine

C11H15N5 — CID 154759721

IUPACN,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
SMILESCCN(CC)c1n[nH]c(-c2cccnc2)n1
InChIInChI=1S/C11H15N5/c1-3-16(4-2)11-13-10(14-15-11)9-6-5-7-12-8-9/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyXOFWCACMJPTGRH-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.71
Rot. Bonds4

About N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine

N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine (PubChem CID 154759721) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
PubChem CID154759721
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
SMILESCCN(CC)c1n[nH]c(-c2cccnc2)n1
InChIInChI=1S/C11H15N5/c1-3-16(4-2)11-13-10(14-15-11)9-6-5-7-12-8-9/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyXOFWCACMJPTGRH-UHFFFAOYSA-N
XLogP1.71
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)diazenyl]aniline
CID 136678230
5-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)benzene-1,3-diamine
CID 43826587
N,N-diethylethanamine;1-[5-(dimethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one;N,N-dimethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine;propanoyl chloride
CID 158061924
N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
CID 163428540
3-[3-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine
CID 71888166
4-[3-[3-[5-[4-(diethylamino)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]-N,N-diethylaniline
CID 118529717
3-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 918282
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine
CID 71933635
3-(5-pentyl-1H-imidazol-2-yl)pyridine
CID 69088600
2-ethyl-5-pyridin-3-yl-1H-1,2,4-triazole-3-thione
CID 170856771
2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine?
The IUPAC name of N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine (CID 154759721) is N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine is CCN(CC)c1n[nH]c(-c2cccnc2)n1.
What is the InChIKey of N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine?
The InChIKey is XOFWCACMJPTGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-3-16(4-2)11-13-10(14-15-11)9-6-5-7-12-8-9/h5-8H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine?
N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine has a molecular weight of 217.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 154759721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).