N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine

C9H13N5S — CID 107042155

IUPACN-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1nnn(C)n1)c1cccs1
InChIInChI=1S/C9H13N5S/c1-7(8-4-3-5-15-8)10-6-9-11-13-14(2)12-9/h3-5,7,10H,6H2,1-2H3
InChIKeyRRPZKNMYXBTCLP-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.12
Rot. Bonds4

About N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine

N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 107042155) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID107042155
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1nnn(C)n1)c1cccs1
InChIInChI=1S/C9H13N5S/c1-7(8-4-3-5-15-8)10-6-9-11-13-14(2)12-9/h3-5,7,10H,6H2,1-2H3
InChIKeyRRPZKNMYXBTCLP-UHFFFAOYSA-N
XLogP1.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107042287
(1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399161
(1S)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81409230
(1R)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 107042590
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408199
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 115709775
(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042566
(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408386
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine (CID 107042155) is N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine is CC(NCc1nnn(C)n1)c1cccs1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is RRPZKNMYXBTCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-7(8-4-3-5-15-8)10-6-9-11-13-14(2)12-9/h3-5,7,10H,6H2,1-2H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 223.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 107042155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).