6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane

C9H18ClN5 — CID 88798896

IUPAC6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane
SMILESCCC(C)(C)C.Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H14.C3H4ClN5/c1-5-6(2,3)4;4-1-7-2(5)9-3(6)8-1/h5H2,1-4H3;(H4,5,6,7,8,9)
InChIKeyRNLHLHDBDOYARG-UHFFFAOYSA-N
MW231.73 g/mol
LogP2.13
Rot. Bonds

About 6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane

6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane (PubChem CID 88798896) has the molecular formula C9H18ClN5 and a molecular weight of 231.73 g/mol. Its IUPAC name is 6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane.

Molecular Properties

Compound Name6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane
PubChem CID88798896
Molecular FormulaC9H18ClN5
Molecular Weight231.73 g/mol
Exact Mass231.13
IUPAC Name6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane
SMILESCCC(C)(C)C.Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H14.C3H4ClN5/c1-5-6(2,3)4;4-1-7-2(5)9-3(6)8-1/h5H2,1-4H3;(H4,5,6,7,8,9)
InChIKeyRNLHLHDBDOYARG-UHFFFAOYSA-N
XLogP2.13
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane?
The IUPAC name of 6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane (CID 88798896) is 6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane.
What is the SMILES notation for 6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane?
The canonical SMILES for 6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane is CCC(C)(C)C.Nc1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane?
The InChIKey is RNLHLHDBDOYARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H4ClN5/c1-5-6(2,3)4;4-1-7-2(5)9-3(6)8-1/h5H2,1-4H3;(H4,5,6,7,8,9).
What are the key properties of 6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane?
6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane has a molecular weight of 231.73 g/mol, XLogP of 2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane is sourced from PubChem (CID 88798896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).