6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine

C10H17N9 — CID 843777

IUPAC6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NC(C)C)nc(Nn2cnnc2)n1
InChIInChI=1S/C10H17N9/c1-4-11-8-15-9(14-7(2)3)17-10(16-8)18-19-5-12-13-6-19/h5-7H,4H2,1-3H3,(H3,11,14,15,16,17,18)
InChIKeyFUZLTVDZVKIRKJ-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.59
Rot. Bonds6

About 6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 843777) has the molecular formula C10H17N9 and a molecular weight of 263.31 g/mol. Its IUPAC name is 6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID843777
Molecular FormulaC10H17N9
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NC(C)C)nc(Nn2cnnc2)n1
InChIInChI=1S/C10H17N9/c1-4-11-8-15-9(14-7(2)3)17-10(16-8)18-19-5-12-13-6-19/h5-7H,4H2,1-3H3,(H3,11,14,15,16,17,18)
InChIKeyFUZLTVDZVKIRKJ-UHFFFAOYSA-N
XLogP0.59
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 843777) is 6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NC(C)C)nc(Nn2cnnc2)n1.
What is the InChIKey of 6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FUZLTVDZVKIRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N9/c1-4-11-8-15-9(14-7(2)3)17-10(16-8)18-19-5-12-13-6-19/h5-7H,4H2,1-3H3,(H3,11,14,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine?
6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 263.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 843777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).