N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine

C10H13N5S — CID 115656745

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESc1cc(CNCc2nnnn2C2CC2)cs1
InChIInChI=1S/C10H13N5S/c1-2-9(1)15-10(12-13-14-15)6-11-5-8-3-4-16-7-8/h3-4,7,9,11H,1-2,5-6H2
InChIKeyFFLKMKQPNRQUJJ-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.36
Rot. Bonds5

About N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 115656745) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID115656745
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESc1cc(CNCc2nnnn2C2CC2)cs1
InChIInChI=1S/C10H13N5S/c1-2-9(1)15-10(12-13-14-15)6-11-5-8-3-4-16-7-8/h3-4,7,9,11H,1-2,5-6H2
InChIKeyFFLKMKQPNRQUJJ-UHFFFAOYSA-N
XLogP1.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 62763674
(1R)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]-1-(3,4-difluorophenyl)ethanol
CID 97076671
2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737442
N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 57399061
N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine
CID 103064873
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 86922272
2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761526
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
CID 86922330
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63804770
1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
CID 4727838
N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 119139537
N-methyl-1-[1-(oxan-4-yl)tetrazol-5-yl]methanamine
CID 62737642

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine (CID 115656745) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine is c1cc(CNCc2nnnn2C2CC2)cs1.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is FFLKMKQPNRQUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-2-9(1)15-10(12-13-14-15)6-11-5-8-3-4-16-7-8/h3-4,7,9,11H,1-2,5-6H2.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 235.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 115656745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).