N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine

C12H15BrN6S — CID 104811481

IUPACN-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
SMILESBrc1ccc(CSc2nnnn2CCNC2CC2)nc1
InChIInChI=1S/C12H15BrN6S/c13-9-1-2-11(15-7-9)8-20-12-16-17-18-19(12)6-5-14-10-3-4-10/h1-2,7,10,14H,3-6,8H2
InChIKeyWZYMTLCLBNRAKO-UHFFFAOYSA-N
MW355.27 g/mol
LogP1.87
Rot. Bonds7

About N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine

N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine (PubChem CID 104811481) has the molecular formula C12H15BrN6S and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
PubChem CID104811481
Molecular FormulaC12H15BrN6S
Molecular Weight355.27 g/mol
Exact Mass354.03
IUPAC NameN-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
SMILESBrc1ccc(CSc2nnnn2CCNC2CC2)nc1
InChIInChI=1S/C12H15BrN6S/c13-9-1-2-11(15-7-9)8-20-12-16-17-18-19(12)6-5-14-10-3-4-10/h1-2,7,10,14H,3-6,8H2
InChIKeyWZYMTLCLBNRAKO-UHFFFAOYSA-N
XLogP1.87
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 113454341
N-[2-[5-[(3-bromo-5-fluorophenyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 79697402
methyl 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]acetate
CID 113454057
N-[2-[5-[(4-chloro-2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 114859690
N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine
CID 115334602
5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 115622292
4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 115622324
N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103184266
N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103140436
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 104813879
5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine
CID 115622303
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine (CID 104811481) is N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine is Brc1ccc(CSc2nnnn2CCNC2CC2)nc1.
What is the InChIKey of N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine?
The InChIKey is WZYMTLCLBNRAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN6S/c13-9-1-2-11(15-7-9)8-20-12-16-17-18-19(12)6-5-14-10-3-4-10/h1-2,7,10,14H,3-6,8H2.
What are the key properties of N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine?
N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine has a molecular weight of 355.27 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 104811481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).