6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one

C6H11N5O — CID 135510207

IUPAC6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
SMILESCC(C)Nc1nc(N)[nH]c(=O)n1
InChIInChI=1S/C6H11N5O/c1-3(2)8-5-9-4(7)10-6(12)11-5/h3H,1-2H3,(H4,7,8,9,10,11,12)
InChIKeyGCKLGRUZDXSATG-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.43
Rot. Bonds2

About 6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one

6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one (PubChem CID 135510207) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
PubChem CID135510207
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
SMILESCC(C)Nc1nc(N)[nH]c(=O)n1
InChIInChI=1S/C6H11N5O/c1-3(2)8-5-9-4(7)10-6(12)11-5/h3H,1-2H3,(H4,7,8,9,10,11,12)
InChIKeyGCKLGRUZDXSATG-UHFFFAOYSA-N
XLogP-0.43
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one (CID 135510207) is 6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one is CC(C)Nc1nc(N)[nH]c(=O)n1.
What is the InChIKey of 6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one?
The InChIKey is GCKLGRUZDXSATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-3(2)8-5-9-4(7)10-6(12)11-5/h3H,1-2H3,(H4,7,8,9,10,11,12).
What are the key properties of 6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one?
6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one has a molecular weight of 169.19 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135510207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).