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

C4H7BrN4 — CID 84771671

IUPAC(5-bromo-3-methyltriazol-4-yl)methanamine
SMILESCn1nnc(Br)c1CN
InChIInChI=1S/C4H7BrN4/c1-9-3(2-6)4(5)7-8-9/h2,6H2,1H3
InChIKeyNAVFVAARPWYCRK-UHFFFAOYSA-N
MW191.03 g/mol
LogP0.04
Rot. Bonds1

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

(5-bromo-3-methyltriazol-4-yl)methanamine (PubChem CID 84771671) has the molecular formula C4H7BrN4 and a molecular weight of 191.03 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)methanamine
PubChem CID84771671
Molecular FormulaC4H7BrN4
Molecular Weight191.03 g/mol
Exact Mass189.99
IUPAC Name(5-bromo-3-methyltriazol-4-yl)methanamine
SMILESCn1nnc(Br)c1CN
InChIInChI=1S/C4H7BrN4/c1-9-3(2-6)4(5)7-8-9/h2,6H2,1H3
InChIKeyNAVFVAARPWYCRK-UHFFFAOYSA-N
XLogP0.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)methanamine (CID 84771671) is (5-bromo-3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)methanamine is Cn1nnc(Br)c1CN.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)methanamine?
The InChIKey is NAVFVAARPWYCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrN4/c1-9-3(2-6)4(5)7-8-9/h2,6H2,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)methanamine?
(5-bromo-3-methyltriazol-4-yl)methanamine has a molecular weight of 191.03 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 84771671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).