N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide

C14H22N6O3 — CID 4783663

IUPACN-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H22N6O3/c21-12-11(17-18-13(22)16-12)19-6-8-20(9-7-19)14(23)15-10-4-2-1-3-5-10/h10H,1-9H2,(H,15,23)(H2,16,18,21,22)
InChIKeyIVDHWICKEPWXEC-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.38
Rot. Bonds2

About N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide

N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide (PubChem CID 4783663) has the molecular formula C14H22N6O3 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide
PubChem CID4783663
Molecular FormulaC14H22N6O3
Molecular Weight322.37 g/mol
Exact Mass322.18
IUPAC NameN-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H22N6O3/c21-12-11(17-18-13(22)16-12)19-6-8-20(9-7-19)14(23)15-10-4-2-1-3-5-10/h10H,1-9H2,(H,15,23)(H2,16,18,21,22)
InChIKeyIVDHWICKEPWXEC-UHFFFAOYSA-N
XLogP-0.38
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide (CID 4783663) is N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(c2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide?
The InChIKey is IVDHWICKEPWXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O3/c21-12-11(17-18-13(22)16-12)19-6-8-20(9-7-19)14(23)15-10-4-2-1-3-5-10/h10H,1-9H2,(H,15,23)(H2,16,18,21,22).
What are the key properties of N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide?
N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 4783663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).