3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

C10H12BrN5 — CID 106282907

IUPAC3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESCc1cnc(NC(C)c2ncn[nH]2)c(Br)c1
InChIInChI=1S/C10H12BrN5/c1-6-3-8(11)10(12-4-6)15-7(2)9-13-5-14-16-9/h3-5,7H,1-2H3,(H,12,15)(H,13,14,16)
InChIKeyQLDNOYFAEWSXQS-UHFFFAOYSA-N
MW282.15 g/mol
LogP2.44
Rot. Bonds3

About 3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 106282907) has the molecular formula C10H12BrN5 and a molecular weight of 282.15 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
PubChem CID106282907
Molecular FormulaC10H12BrN5
Molecular Weight282.15 g/mol
Exact Mass281.03
IUPAC Name3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESCc1cnc(NC(C)c2ncn[nH]2)c(Br)c1
InChIInChI=1S/C10H12BrN5/c1-6-3-8(11)10(12-4-6)15-7(2)9-13-5-14-16-9/h3-5,7H,1-2H3,(H,12,15)(H,13,14,16)
InChIKeyQLDNOYFAEWSXQS-UHFFFAOYSA-N
XLogP2.44
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 102975953
3-bromo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzonitrile
CID 114168086
7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine
CID 166400280
3-N-(3-bromo-5-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357664
3-chloro-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 103886344
3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
CID 105367164
3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine
CID 105366826
2-bromo-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzonitrile
CID 106283074
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 106283037
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168104
6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282952

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (CID 106282907) is 3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is Cc1cnc(NC(C)c2ncn[nH]2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is QLDNOYFAEWSXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-6-3-8(11)10(12-4-6)15-7(2)9-13-5-14-16-9/h3-5,7H,1-2H3,(H,12,15)(H,13,14,16).
What are the key properties of 3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 282.15 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106282907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).