(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine

C10H12BrN5 — CID 106462380

IUPAC(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
SMILESCc1ccnc(C(N)c2c(Br)nnn2C)c1
InChIInChI=1S/C10H12BrN5/c1-6-3-4-13-7(5-6)8(12)9-10(11)14-15-16(9)2/h3-5,8H,12H2,1-2H3
InChIKeyOCRCKRKKUSDOEF-UHFFFAOYSA-N
MW282.15 g/mol
LogP1.33
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine

(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine (PubChem CID 106462380) has the molecular formula C10H12BrN5 and a molecular weight of 282.15 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
PubChem CID106462380
Molecular FormulaC10H12BrN5
Molecular Weight282.15 g/mol
Exact Mass281.03
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
SMILESCc1ccnc(C(N)c2c(Br)nnn2C)c1
InChIInChI=1S/C10H12BrN5/c1-6-3-4-13-7(5-6)8(12)9-10(11)14-15-16(9)2/h3-5,8H,12H2,1-2H3
InChIKeyOCRCKRKKUSDOEF-UHFFFAOYSA-N
XLogP1.33
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine
CID 106462732
(5-bromo-3-methyltriazol-4-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106858990
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106464783
(5-bromo-3-methyltriazol-4-yl)-(6-methyl-3-pyridinyl)methanamine
CID 106465360
1-(5-bromo-3-methyltriazol-4-yl)-3-(3-methylphenoxy)propan-1-amine
CID 106465361
(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
CID 106462222
(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464575
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106464896
(4-methylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63840530
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
CID 106465277
(1-methylpyrazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
CID 63839914
[(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methyl]hydrazine
CID 105220041

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine (CID 106462380) is (5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine is Cc1ccnc(C(N)c2c(Br)nnn2C)c1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine?
The InChIKey is OCRCKRKKUSDOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-6-3-4-13-7(5-6)8(12)9-10(11)14-15-16(9)2/h3-5,8H,12H2,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine has a molecular weight of 282.15 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 106462380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).