(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine

C8H11BrN6 — CID 106464783

IUPAC(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1c(Br)nnn1C
InChIInChI=1S/C8H11BrN6/c1-14-5(3-4-11-14)6(10)7-8(9)12-13-15(7)2/h3-4,6H,10H2,1-2H3
InChIKeyQRPZAYHEMUUGIO-UHFFFAOYSA-N
MW271.12 g/mol
LogP0.36
Rot. Bonds2

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

(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 106464783) has the molecular formula C8H11BrN6 and a molecular weight of 271.12 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID106464783
Molecular FormulaC8H11BrN6
Molecular Weight271.12 g/mol
Exact Mass270.02
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1c(Br)nnn1C
InChIInChI=1S/C8H11BrN6/c1-14-5(3-4-11-14)6(10)7-8(9)12-13-15(7)2/h3-4,6H,10H2,1-2H3
InChIKeyQRPZAYHEMUUGIO-UHFFFAOYSA-N
XLogP0.36
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
CID 106465277
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
CID 106462380
(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948
(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
CID 106462222
(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine
CID 130597665
(5-bromo-3-methyltriazol-4-yl)-(6-methyl-3-pyridinyl)methanamine
CID 106465360
(5-bromo-3-methyltriazol-4-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 106464845
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine
CID 106462732
(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine
CID 106464957
(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 107945853
(5-bromo-3-methyltriazol-4-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106858990
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106464896

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine (CID 106464783) is (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1C(N)c1c(Br)nnn1C.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is QRPZAYHEMUUGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN6/c1-14-5(3-4-11-14)6(10)7-8(9)12-13-15(7)2/h3-4,6H,10H2,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 271.12 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 106464783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).