4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide

C14H20N10O — CID 161157990

IUPAC4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide
SMILESCCCc1nc(N)nc(C#N)n1.CCCc1nc(N)nc(C(N)=O)n1
InChIInChI=1S/C7H11N5O.C7H9N5/c1-2-3-4-10-6(5(8)13)12-7(9)11-4;1-2-3-5-10-6(4-8)12-7(9)11-5/h2-3H2,1H3,(H2,8,13)(H2,9,10,11,12);2-3H2,1H3,(H2,9,10,11,12)
InChIKeyUPNWHTALDWIQAD-UHFFFAOYSA-N
MW344.38 g/mol
LogP-0.22
Rot. Bonds5

About 4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide

4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide (PubChem CID 161157990) has the molecular formula C14H20N10O and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide
PubChem CID161157990
Molecular FormulaC14H20N10O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide
SMILESCCCc1nc(N)nc(C#N)n1.CCCc1nc(N)nc(C(N)=O)n1
InChIInChI=1S/C7H11N5O.C7H9N5/c1-2-3-4-10-6(5(8)13)12-7(9)11-4;1-2-3-5-10-6(4-8)12-7(9)11-5/h2-3H2,1H3,(H2,8,13)(H2,9,10,11,12);2-3H2,1H3,(H2,9,10,11,12)
InChIKeyUPNWHTALDWIQAD-UHFFFAOYSA-N
XLogP-0.22
TPSA196.26 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide (CID 161157990) is 4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide is CCCc1nc(N)nc(C#N)n1.CCCc1nc(N)nc(C(N)=O)n1.
What is the InChIKey of 4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide?
The InChIKey is UPNWHTALDWIQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O.C7H9N5/c1-2-3-4-10-6(5(8)13)12-7(9)11-4;1-2-3-5-10-6(4-8)12-7(9)11-5/h2-3H2,1H3,(H2,8,13)(H2,9,10,11,12);2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide?
4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide has a molecular weight of 344.38 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 161157990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).