[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine

C10H14N6OS — CID 82221381

IUPAC[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
SMILESCc1nnc(-n2nnc(CN)c2C2CCCO2)s1
InChIInChI=1S/C10H14N6OS/c1-6-12-14-10(18-6)16-9(7(5-11)13-15-16)8-3-2-4-17-8/h8H,2-5,11H2,1H3
InChIKeyVHRSSCQYPNOMEC-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.74
Rot. Bonds3

About [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine

[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine (PubChem CID 82221381) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
PubChem CID82221381
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
SMILESCc1nnc(-n2nnc(CN)c2C2CCCO2)s1
InChIInChI=1S/C10H14N6OS/c1-6-12-14-10(18-6)16-9(7(5-11)13-15-16)8-3-2-4-17-8/h8H,2-5,11H2,1H3
InChIKeyVHRSSCQYPNOMEC-UHFFFAOYSA-N
XLogP0.74
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82199059
4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline
CID 82199693
[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82197241
[1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82196348
[5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 94962752
[1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82205498
[5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82220800
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine
CID 82221373
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(trichloromethyl)triazol-4-yl]methanamine
CID 94962754
2-[4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]phenyl]acetic acid
CID 82195563
2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole
CID 58853375
[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197956

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine (CID 82221381) is [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine is Cc1nnc(-n2nnc(CN)c2C2CCCO2)s1.
What is the InChIKey of [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The InChIKey is VHRSSCQYPNOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-6-12-14-10(18-6)16-9(7(5-11)13-15-16)8-3-2-4-17-8/h8H,2-5,11H2,1H3.
What are the key properties of [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine has a molecular weight of 266.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82221381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).