1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine

C8H11N5S — CID 4727838

IUPAC1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
SMILESCCn1nnnc1NCc1ccsc1
InChIInChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-5-7-3-4-14-6-7/h3-4,6H,2,5H2,1H3,(H,9,10,12)
InChIKeyKVLVXQFUTRQQMR-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.37
Rot. Bonds4

About 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine

1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine (PubChem CID 4727838) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
PubChem CID4727838
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
SMILESCCn1nnnc1NCc1ccsc1
InChIInChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-5-7-3-4-14-6-7/h3-4,6H,2,5H2,1H3,(H,9,10,12)
InChIKeyKVLVXQFUTRQQMR-UHFFFAOYSA-N
XLogP1.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
CID 4726983
3-(1-butyltetrazol-5-yl)-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 31126040
N-ethyl-1-[1-(thiophen-3-ylmethyl)tetrazol-5-yl]ethanamine
CID 103086139
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64982615
2-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606235
3-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 83065242
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 4726994
1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 19626652
1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine
CID 106571941
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66544536
1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 62902813
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66540391

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine (CID 4727838) is 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine is CCn1nnnc1NCc1ccsc1.
What is the InChIKey of 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine?
The InChIKey is KVLVXQFUTRQQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-5-7-3-4-14-6-7/h3-4,6H,2,5H2,1H3,(H,9,10,12).
What are the key properties of 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine?
1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine has a molecular weight of 209.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 4727838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).