3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine

C6H13N5S — CID 82504387

IUPAC3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine
SMILESCC(C)(CN)Sc1n[nH]c(N)n1
InChIInChI=1S/C6H13N5S/c1-6(2,3-7)12-5-9-4(8)10-11-5/h3,7H2,1-2H3,(H3,8,9,10,11)
InChIKeyNYQBRIZYOSCJFB-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.22
Rot. Bonds3

About 3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine

3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine (PubChem CID 82504387) has the molecular formula C6H13N5S and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine
PubChem CID82504387
Molecular FormulaC6H13N5S
Molecular Weight187.27 g/mol
Exact Mass187.09
IUPAC Name3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine
SMILESCC(C)(CN)Sc1n[nH]c(N)n1
InChIInChI=1S/C6H13N5S/c1-6(2,3-7)12-5-9-4(8)10-11-5/h3,7H2,1-2H3,(H3,8,9,10,11)
InChIKeyNYQBRIZYOSCJFB-UHFFFAOYSA-N
XLogP0.22
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-methylbutanoic acid
CID 82238838
3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 131219759
1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropan-2-ol
CID 62375341
3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 132554513
3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 6917260
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43213047
potassium (5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl-trifluoroboranuide
CID 63704198
N-acetyl-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 130735027
3-(3,3-diethoxypropylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 81094533
3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine
CID 82508708
3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 43251183
3-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 2743357

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine (CID 82504387) is 3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine is CC(C)(CN)Sc1n[nH]c(N)n1.
What is the InChIKey of 3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine?
The InChIKey is NYQBRIZYOSCJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5S/c1-6(2,3-7)12-5-9-4(8)10-11-5/h3,7H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine?
3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine has a molecular weight of 187.27 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 82504387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).