4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile

C11H18N6S — CID 55145079

IUPAC4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCSc1nnnn1C1CC1
InChIInChI=1S/C11H18N6S/c1-2-6-13-9(8-12)5-7-18-11-14-15-16-17(11)10-3-4-10/h9-10,13H,2-7H2,1H3
InChIKeyWHDDVOKWFXKBPU-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.38
Rot. Bonds8

About 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile

4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile (PubChem CID 55145079) has the molecular formula C11H18N6S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile
PubChem CID55145079
Molecular FormulaC11H18N6S
Molecular Weight266.37 g/mol
Exact Mass266.13
IUPAC Name4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCSc1nnnn1C1CC1
InChIInChI=1S/C11H18N6S/c1-2-6-13-9(8-12)5-7-18-11-14-15-16-17(11)10-3-4-10/h9-10,13H,2-7H2,1H3
InChIKeyWHDDVOKWFXKBPU-UHFFFAOYSA-N
XLogP1.38
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile 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

4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanenitrile
CID 63053368
5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
CID 64648944
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64648928
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanoate
CID 63035201
N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386414
1-cyclopropyl-5-(3,3-diethoxypropylsulfanyl)tetrazole
CID 63628121
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64648734
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64650320
1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64649712
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate
CID 63033246
1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine
CID 64649342

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile?
The IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile (CID 55145079) is 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile?
The canonical SMILES for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile is CCCNC(C#N)CCSc1nnnn1C1CC1.
What is the InChIKey of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile?
The InChIKey is WHDDVOKWFXKBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S/c1-2-6-13-9(8-12)5-7-18-11-14-15-16-17(11)10-3-4-10/h9-10,13H,2-7H2,1H3.
What are the key properties of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile?
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile has a molecular weight of 266.37 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile is sourced from PubChem (CID 55145079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).