3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine

C10H12BrN5 — CID 104777254

IUPAC3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine
SMILESBrc1cnccc1NCCCn1ccnn1
InChIInChI=1S/C10H12BrN5/c11-9-8-12-4-2-10(9)13-3-1-6-16-7-5-14-15-16/h2,4-5,7-8H,1,3,6H2,(H,12,13)
InChIKeyDKGHBRHZLTYLSC-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.94
Rot. Bonds5

About 3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine

3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine (PubChem CID 104777254) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine
PubChem CID104777254
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine
SMILESBrc1cnccc1NCCCn1ccnn1
InChIInChI=1S/C10H12BrN5/c11-9-8-12-4-2-10(9)13-3-1-6-16-7-5-14-15-16/h2,4-5,7-8H,1,3,6H2,(H,12,13)
InChIKeyDKGHBRHZLTYLSC-UHFFFAOYSA-N
XLogP1.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769
N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
N'-(3-bromo-4-pyridinyl)butane-1,4-diamine
CID 104776649
3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine
CID 113375064
4-bromo-2-prop-2-enyl-5-[3-(triazol-1-yl)propylamino]pyridazin-3-one
CID 114441756
3-bromo-N-(3-phenylpropyl)pyridin-4-amine
CID 104776830
2-methyl-3-N-[3-(triazol-1-yl)propyl]benzene-1,3-diamine
CID 113412414
3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine
CID 113424266
5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine
CID 103518447
N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine
CID 106308448
5-chloro-2-[3-(triazol-1-yl)propylamino]benzonitrile
CID 113412835
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine (CID 104777254) is 3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine is Brc1cnccc1NCCCn1ccnn1.
What is the InChIKey of 3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine?
The InChIKey is DKGHBRHZLTYLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c11-9-8-12-4-2-10(9)13-3-1-6-16-7-5-14-15-16/h2,4-5,7-8H,1,3,6H2,(H,12,13).
What are the key properties of 3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine?
3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine has a molecular weight of 282.14 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine is sourced from PubChem (CID 104777254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).