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

C9H13N5S — CID 4726983

IUPAC1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccsc1
InChIInChI=1S/C9H13N5S/c1-2-4-14-9(11-12-13-14)10-6-8-3-5-15-7-8/h3,5,7H,2,4,6H2,1H3,(H,10,11,13)
InChIKeyKFFHIUNIEXVURD-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.76
Rot. Bonds5

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

1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine (PubChem CID 4726983) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
PubChem CID4726983
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccsc1
InChIInChI=1S/C9H13N5S/c1-2-4-14-9(11-12-13-14)10-6-8-3-5-15-7-8/h3,5,7H,2,4,6H2,1H3,(H,10,11,13)
InChIKeyKFFHIUNIEXVURD-UHFFFAOYSA-N
XLogP1.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
CID 4727838
2-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606235
3-(1-butyltetrazol-5-yl)-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 31126040
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
CID 4727264
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4725619
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4727254
2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol
CID 39860848
N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine
CID 93073274
N-ethyl-1-[1-(thiophen-3-ylmethyl)tetrazol-5-yl]ethanamine
CID 103086139
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 66542960
N-[[3-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 17057773
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64982615

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine (CID 4726983) is 1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine is CCCn1nnnc1NCc1ccsc1.
What is the InChIKey of 1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine?
The InChIKey is KFFHIUNIEXVURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-2-4-14-9(11-12-13-14)10-6-8-3-5-15-7-8/h3,5,7H,2,4,6H2,1H3,(H,10,11,13).
What are the key properties of 1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine?
1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine has a molecular weight of 223.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 4726983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).