N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide

C14H21N7O3 — CID 10664509

IUPACN-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1nnc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H21N7O3/c1-5-21(6-2)8-7-15-12(22)10-16-9-11(18-17-10)19(3)14(24)20(4)13(9)23/h5-8H2,1-4H3,(H,15,22)
InChIKeyQRLHRLQFJVOWGX-UHFFFAOYSA-N
MW335.37 g/mol
LogP-1.51
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide

N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide (PubChem CID 10664509) has the molecular formula C14H21N7O3 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
PubChem CID10664509
Molecular FormulaC14H21N7O3
Molecular Weight335.37 g/mol
Exact Mass335.17
IUPAC NameN-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1nnc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H21N7O3/c1-5-21(6-2)8-7-15-12(22)10-16-9-11(18-17-10)19(3)14(24)20(4)13(9)23/h5-8H2,1-4H3,(H,15,22)
InChIKeyQRLHRLQFJVOWGX-UHFFFAOYSA-N
XLogP-1.51
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide (CID 10664509) is N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide is CCN(CC)CCNC(=O)c1nnc2c(n1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide?
The InChIKey is QRLHRLQFJVOWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O3/c1-5-21(6-2)8-7-15-12(22)10-16-9-11(18-17-10)19(3)14(24)20(4)13(9)23/h5-8H2,1-4H3,(H,15,22).
What are the key properties of N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide?
N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of -1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 10664509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).