6-butyl-1,3,5-triazine-2,4-diamine

C7H13N5 — CID 18602

IUPAC6-butyl-1,3,5-triazine-2,4-diamine
SMILESCCCCc1nc(N)nc(N)n1
InChIInChI=1S/C7H13N5/c1-2-3-4-5-10-6(8)12-7(9)11-5/h2-4H2,1H3,(H4,8,9,10,11,12)
InChIKeyFMKJZXVUCJWIIV-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.38
Rot. Bonds3

About 6-butyl-1,3,5-triazine-2,4-diamine

6-butyl-1,3,5-triazine-2,4-diamine (PubChem CID 18602) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 6-butyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-butyl-1,3,5-triazine-2,4-diamine
PubChem CID18602
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name6-butyl-1,3,5-triazine-2,4-diamine
SMILESCCCCc1nc(N)nc(N)n1
InChIInChI=1S/C7H13N5/c1-2-3-4-5-10-6(8)12-7(9)11-5/h2-4H2,1H3,(H4,8,9,10,11,12)
InChIKeyFMKJZXVUCJWIIV-UHFFFAOYSA-N
XLogP0.38
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-butyl-1,3,5-triazine-2,4-diamine (CID 18602) is 6-butyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-butyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-butyl-1,3,5-triazine-2,4-diamine is CCCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-butyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FMKJZXVUCJWIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-2-3-4-5-10-6(8)12-7(9)11-5/h2-4H2,1H3,(H4,8,9,10,11,12).
What are the key properties of 6-butyl-1,3,5-triazine-2,4-diamine?
6-butyl-1,3,5-triazine-2,4-diamine has a molecular weight of 167.22 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).