1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine

C9H11N5S — CID 4726348

IUPAC1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
SMILESC=CCn1nnnc1NCc1cccs1
InChIInChI=1S/C9H11N5S/c1-2-5-14-9(11-12-13-14)10-7-8-4-3-6-15-8/h2-4,6H,1,5,7H2,(H,10,11,13)
InChIKeyXBOYKCHWQSZLTI-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.53
Rot. Bonds5

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

1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine (PubChem CID 4726348) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
PubChem CID4726348
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
SMILESC=CCn1nnnc1NCc1cccs1
InChIInChI=1S/C9H11N5S/c1-2-5-14-9(11-12-13-14)10-7-8-4-3-6-15-8/h2-4,6H,1,5,7H2,(H,10,11,13)
InChIKeyXBOYKCHWQSZLTI-UHFFFAOYSA-N
XLogP1.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
1-butyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
CID 1817890
1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine
CID 4712769
1-ethyl-N-(thiophen-2-ylmethyl)-1H-tetrazol-5-amine
CID 4727449
N5-(Thiophen-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
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-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine (CID 4726348) is 1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine is C=CCn1nnnc1NCc1cccs1.
What is the InChIKey of 1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine?
The InChIKey is XBOYKCHWQSZLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-2-5-14-9(11-12-13-14)10-7-8-4-3-6-15-8/h2-4,6H,1,5,7H2,(H,10,11,13).
What are the key properties of 1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine?
1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine has a molecular weight of 221.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 4726348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).