1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile

C8H10N4S — CID 130618801

IUPAC1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile
SMILESCn1ncnc1SCC1(C#N)CC1
InChIInChI=1S/C8H10N4S/c1-12-7(10-6-11-12)13-5-8(4-9)2-3-8/h6H,2-3,5H2,1H3
InChIKeyRLKVOHHYMBMURF-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.21
Rot. Bonds3

About 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile

1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile (PubChem CID 130618801) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile
PubChem CID130618801
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile
SMILESCn1ncnc1SCC1(C#N)CC1
InChIInChI=1S/C8H10N4S/c1-12-7(10-6-11-12)13-5-8(4-9)2-3-8/h6H,2-3,5H2,1H3
InChIKeyRLKVOHHYMBMURF-UHFFFAOYSA-N
XLogP1.21
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile (CID 130618801) is 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile is Cn1ncnc1SCC1(C#N)CC1.
What is the InChIKey of 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile?
The InChIKey is RLKVOHHYMBMURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-12-7(10-6-11-12)13-5-8(4-9)2-3-8/h6H,2-3,5H2,1H3.
What are the key properties of 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile?
1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 130618801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).