5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine

C11H14BrN5 — CID 107517319

IUPAC5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ncccc2Br)n1CC
InChIInChI=1S/C11H14BrN5/c1-3-13-11-16-15-10(17(11)4-2)9-8(12)6-5-7-14-9/h5-7H,3-4H2,1-2H3,(H,13,16)
InChIKeyHDNAHMKGVRYOAW-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.55
Rot. Bonds4

About 5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine

5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine (PubChem CID 107517319) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine
PubChem CID107517319
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ncccc2Br)n1CC
InChIInChI=1S/C11H14BrN5/c1-3-13-11-16-15-10(17(11)4-2)9-8(12)6-5-7-14-9/h5-7H,3-4H2,1-2H3,(H,13,16)
InChIKeyHDNAHMKGVRYOAW-UHFFFAOYSA-N
XLogP2.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine
CID 115945460
N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine
CID 112596811
N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
CID 115945502
5-(2-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597483
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
5-(2-amino-4-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597577
N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine
CID 112596812
5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596641
2-[[5-(3-bromo-2-pyridinyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 107519590
N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine
CID 112596797
5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-2-methylphenol
CID 112596621
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine (CID 107517319) is 5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine is CCNc1nnc(-c2ncccc2Br)n1CC.
What is the InChIKey of 5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The InChIKey is HDNAHMKGVRYOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-3-13-11-16-15-10(17(11)4-2)9-8(12)6-5-7-14-9/h5-7H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine?
5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine has a molecular weight of 296.17 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 107517319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).