N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine

C10H15N5S — CID 4059193

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(C)s1
InChIInChI=1S/C10H15N5S/c1-3-6-15-10(12-13-14-15)11-7-9-5-4-8(2)16-9/h4-5H,3,6-7H2,1-2H3,(H,11,12,14)
InChIKeyAGTQUOMDQAVWRG-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.07
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine

N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine (PubChem CID 4059193) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine
PubChem CID4059193
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(C)s1
InChIInChI=1S/C10H15N5S/c1-3-6-15-10(12-13-14-15)11-7-9-5-4-8(2)16-9/h4-5H,3,6-7H2,1-2H3,(H,11,12,14)
InChIKeyAGTQUOMDQAVWRG-UHFFFAOYSA-N
XLogP2.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine (CID 4059193) is N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccc(C)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is AGTQUOMDQAVWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-3-6-15-10(12-13-14-15)11-7-9-5-4-8(2)16-9/h4-5H,3,6-7H2,1-2H3,(H,11,12,14).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine?
N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 237.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4059193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).