N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine

C14H20N6S — CID 83109972

IUPACN-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Sc2nnnn2C2CC2)cn1
InChIInChI=1S/C14H20N6S/c1-3-8-15-10(2)13-7-6-12(9-16-13)21-14-17-18-19-20(14)11-4-5-11/h6-7,9-11,15H,3-5,8H2,1-2H3
InChIKeyIYZBDEKVHJXAGK-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.61
Rot. Bonds7

About N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83109972) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83109972
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC NameN-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Sc2nnnn2C2CC2)cn1
InChIInChI=1S/C14H20N6S/c1-3-8-15-10(2)13-7-6-12(9-16-13)21-14-17-18-19-20(14)11-4-5-11/h6-7,9-11,15H,3-5,8H2,1-2H3
InChIKeyIYZBDEKVHJXAGK-UHFFFAOYSA-N
XLogP2.61
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-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

N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-1-amine
CID 63805118
N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085850
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine
CID 63805114
N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83123962
5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
CID 64648944
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64648928
N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 83111053
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528934
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile
CID 55145079
(1R)-1-[5-(1-methyltetrazol-5-yl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938080
N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]propan-1-amine
CID 114864109
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63804770

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine (CID 83109972) is N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Sc2nnnn2C2CC2)cn1.
What is the InChIKey of N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is IYZBDEKVHJXAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-3-8-15-10(2)13-7-6-12(9-16-13)21-14-17-18-19-20(14)11-4-5-11/h6-7,9-11,15H,3-5,8H2,1-2H3.
What are the key properties of N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 304.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83109972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).