N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide

C17H24N10O — CID 125445595

IUPACN-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCCn1cnnc1[C@@H](C)NC(=O)N1CCN(c2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C17H24N10O/c1-4-24-11-19-23-15(24)13(3)22-17(28)26-7-5-25(6-8-26)14-9-12(2)21-16-18-10-20-27(14)16/h9-11,13H,4-8H2,1-3H3,(H,22,28)/t13-/m1/s1
InChIKeyRICDKBJGBYPKAW-CYBMUJFWSA-N
MW384.45 g/mol
LogP0.64
Rot. Bonds4

About N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide

N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide (PubChem CID 125445595) has the molecular formula C17H24N10O and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
PubChem CID125445595
Molecular FormulaC17H24N10O
Molecular Weight384.45 g/mol
Exact Mass384.21
IUPAC NameN-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCCn1cnnc1[C@@H](C)NC(=O)N1CCN(c2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C17H24N10O/c1-4-24-11-19-23-15(24)13(3)22-17(28)26-7-5-25(6-8-26)14-9-12(2)21-16-18-10-20-27(14)16/h9-11,13H,4-8H2,1-3H3,(H,22,28)/t13-/m1/s1
InChIKeyRICDKBJGBYPKAW-CYBMUJFWSA-N
XLogP0.64
TPSA109.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide (CID 125445595) is N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide is CCn1cnnc1[C@@H](C)NC(=O)N1CCN(c2cc(C)nc3ncnn23)CC1.
What is the InChIKey of N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide?
The InChIKey is RICDKBJGBYPKAW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N10O/c1-4-24-11-19-23-15(24)13(3)22-17(28)26-7-5-25(6-8-26)14-9-12(2)21-16-18-10-20-27(14)16/h9-11,13H,4-8H2,1-3H3,(H,22,28)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide?
N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 125445595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).