1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine

C10H13BrN4S — CID 79542088

IUPAC1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1cc(Br)cs1
InChIInChI=1S/C10H13BrN4S/c1-2-3-9-10(12)13-14-15(9)5-8-4-7(11)6-16-8/h4,6H,2-3,5,12H2,1H3
InChIKeyNQNSUEXZYVSXID-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.69
Rot. Bonds4

About 1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine

1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine (PubChem CID 79542088) has the molecular formula C10H13BrN4S and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine
PubChem CID79542088
Molecular FormulaC10H13BrN4S
Molecular Weight301.21 g/mol
Exact Mass300.00
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1cc(Br)cs1
InChIInChI=1S/C10H13BrN4S/c1-2-3-9-10(12)13-14-15(9)5-8-4-7(11)6-16-8/h4,6H,2-3,5,12H2,1H3
InChIKeyNQNSUEXZYVSXID-UHFFFAOYSA-N
XLogP2.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]-5-propyltriazol-4-amine
CID 79711166
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79542851
1-(furan-2-ylmethyl)-5-propyltriazol-4-amine
CID 79543353
ethyl 1-[(4-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)triazole-4-carboxylate
CID 103108151
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-propyltriazol-4-amine
CID 79536857
5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine
CID 103098505
1-[(4-bromothiophen-2-yl)methyl]triazol-4-amine
CID 79542195
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79543356
1-(4-bromophenyl)-5-propyltriazol-4-amine
CID 79502698
1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine
CID 55104056
5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine
CID 79541998
1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-propyltriazol-4-amine
CID 79536608

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine (CID 79542088) is 1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine is CCCc1c(N)nnn1Cc1cc(Br)cs1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine?
The InChIKey is NQNSUEXZYVSXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4S/c1-2-3-9-10(12)13-14-15(9)5-8-4-7(11)6-16-8/h4,6H,2-3,5,12H2,1H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine?
1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine has a molecular weight of 301.21 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine is sourced from PubChem (CID 79542088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).