4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione

C5H11N5S — CID 90063752

IUPAC4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione
SMILESCC(C)N(N)c1n[nH][nH]c1=S
InChIInChI=1S/C5H11N5S/c1-3(2)10(6)4-5(11)8-9-7-4/h3H,6H2,1-2H3,(H2,7,8,9,11)
InChIKeyWJQYIZBSDMMOLL-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.56
Rot. Bonds2

About 4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione

4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione (PubChem CID 90063752) has the molecular formula C5H11N5S and a molecular weight of 173.24 g/mol. Its IUPAC name is 4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione.

Molecular Properties

Compound Name4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione
PubChem CID90063752
Molecular FormulaC5H11N5S
Molecular Weight173.24 g/mol
Exact Mass173.07
IUPAC Name4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione
SMILESCC(C)N(N)c1n[nH][nH]c1=S
InChIInChI=1S/C5H11N5S/c1-3(2)10(6)4-5(11)8-9-7-4/h3H,6H2,1-2H3,(H2,7,8,9,11)
InChIKeyWJQYIZBSDMMOLL-UHFFFAOYSA-N
XLogP0.56
TPSA73.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione?
The IUPAC name of 4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione (CID 90063752) is 4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione.
What is the SMILES notation for 4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione?
The canonical SMILES for 4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione is CC(C)N(N)c1n[nH][nH]c1=S.
What is the InChIKey of 4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione?
The InChIKey is WJQYIZBSDMMOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5S/c1-3(2)10(6)4-5(11)8-9-7-4/h3H,6H2,1-2H3,(H2,7,8,9,11).
What are the key properties of 4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione?
4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione has a molecular weight of 173.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(propan-2-yl)amino]-1,2-dihydrotriazole-5-thione is sourced from PubChem (CID 90063752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).