3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile

C9H13N5S — CID 43368522

IUPAC3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile
SMILESCCC(CC#N)Sc1nnnn1C1CC1
InChIInChI=1S/C9H13N5S/c1-2-8(5-6-10)15-9-11-12-13-14(9)7-3-4-7/h7-8H,2-5H2,1H3
InChIKeySFMAKUSQZHSGNN-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.79
Rot. Bonds5

About 3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile

3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile (PubChem CID 43368522) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile.

Molecular Properties

Compound Name3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile
PubChem CID43368522
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile
SMILESCCC(CC#N)Sc1nnnn1C1CC1
InChIInChI=1S/C9H13N5S/c1-2-8(5-6-10)15-9-11-12-13-14(9)7-3-4-7/h7-8H,2-5H2,1H3
InChIKeySFMAKUSQZHSGNN-UHFFFAOYSA-N
XLogP1.79
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile?
The IUPAC name of 3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile (CID 43368522) is 3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile.
What is the SMILES notation for 3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile?
The canonical SMILES for 3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile is CCC(CC#N)Sc1nnnn1C1CC1.
What is the InChIKey of 3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile?
The InChIKey is SFMAKUSQZHSGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-2-8(5-6-10)15-9-11-12-13-14(9)7-3-4-7/h7-8H,2-5H2,1H3.
What are the key properties of 3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile?
3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile has a molecular weight of 223.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile is sourced from PubChem (CID 43368522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).