1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine

C8H11N5S — CID 4727449

IUPAC1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
SMILESCCn1nnnc1NCc1cccs1
InChIInChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-6-7-4-3-5-14-7/h3-5H,2,6H2,1H3,(H,9,10,12)
InChIKeyBKBWXQIEMQPRQD-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.37
Rot. Bonds4

About 1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine

1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine (PubChem CID 4727449) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
PubChem CID4727449
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
SMILESCCn1nnnc1NCc1cccs1
InChIInChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-6-7-4-3-5-14-7/h3-5H,2,6H2,1H3,(H,9,10,12)
InChIKeyBKBWXQIEMQPRQD-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

N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide
CID 851480
N~2~-[(Thiophen-2-Yl)methyl]-1,3,4-Thiadiazole-2,5-Diamine
CID 6917216
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655634
2-(1-Propyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655852
N-(1-butyl-1H-tetraazol-5-yl)-N-[(5-methyl-2-thienyl)methyl]amine
CID 1817884
3-(methylthio)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine
CID 973008
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 649442
1-butyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
CID 1817890
1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine
CID 4712769
5-Amino-3-(2-thienylmethyl)amino-1,2,4-triazole
CID 2726523
N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine
CID 4059193
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-tetrazol-5-amine
CID 4727496

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine (CID 4727449) is 1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine is CCn1nnnc1NCc1cccs1.
What is the InChIKey of 1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine?
The InChIKey is BKBWXQIEMQPRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-6-7-4-3-5-14-7/h3-5H,2,6H2,1H3,(H,9,10,12).
What are the key properties of 1-ethyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine?
1-ethyl-N-(thiophen-2-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-2-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 4727449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).