[2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine

C10H14N6S — CID 155550901

IUPAC[2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine
SMILESCc1cc(NN)n2nc(SCC3CC3)nc2n1
InChIInChI=1S/C10H14N6S/c1-6-4-8(14-11)16-9(12-6)13-10(15-16)17-5-7-2-3-7/h4,7,14H,2-3,5,11H2,1H3
InChIKeyOZMKNALNPDSOMA-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.22
Rot. Bonds4

About [2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine

[2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine (PubChem CID 155550901) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is [2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine.

Molecular Properties

Compound Name[2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine
PubChem CID155550901
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name[2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine
SMILESCc1cc(NN)n2nc(SCC3CC3)nc2n1
InChIInChI=1S/C10H14N6S/c1-6-4-8(14-11)16-9(12-6)13-10(15-16)17-5-7-2-3-7/h4,7,14H,2-3,5,11H2,1H3
InChIKeyOZMKNALNPDSOMA-UHFFFAOYSA-N
XLogP1.22
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The IUPAC name of [2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine (CID 155550901) is [2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine.
What is the SMILES notation for [2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The canonical SMILES for [2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine is Cc1cc(NN)n2nc(SCC3CC3)nc2n1.
What is the InChIKey of [2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The InChIKey is OZMKNALNPDSOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-6-4-8(14-11)16-9(12-6)13-10(15-16)17-5-7-2-3-7/h4,7,14H,2-3,5,11H2,1H3.
What are the key properties of [2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine?
[2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine has a molecular weight of 250.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hydrazine is sourced from PubChem (CID 155550901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).