N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide

C14H21N9O2 — CID 121138112

IUPACN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(C)c1nc(CNC(=O)Cn2cncn2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H21N9O2/c1-21(2)13-18-11(7-16-12(24)8-23-10-15-9-17-23)19-14(20-13)22-3-5-25-6-4-22/h9-10H,3-8H2,1-2H3,(H,16,24)
InChIKeyFHKPDEHHDCAJRM-UHFFFAOYSA-N
MW347.38 g/mol
LogP-1.32
Rot. Bonds6

About N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 121138112) has the molecular formula C14H21N9O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID121138112
Molecular FormulaC14H21N9O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC NameN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(C)c1nc(CNC(=O)Cn2cncn2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H21N9O2/c1-21(2)13-18-11(7-16-12(24)8-23-10-15-9-17-23)19-14(20-13)22-3-5-25-6-4-22/h9-10H,3-8H2,1-2H3,(H,16,24)
InChIKeyFHKPDEHHDCAJRM-UHFFFAOYSA-N
XLogP-1.32
TPSA114.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 47253001
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide
CID 126797330
2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 164638752
2-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone
CID 55037788
2-[(4-Methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 55037923
2-[3-(Aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 55152212
N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide
CID 62118069
2-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 62119030
2-[(4-Methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone
CID 62119197
4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62864173
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 62950153
2-[3-(Aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone
CID 62951063

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 121138112) is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is CN(C)c1nc(CNC(=O)Cn2cncn2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is FHKPDEHHDCAJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N9O2/c1-21(2)13-18-11(7-16-12(24)8-23-10-15-9-17-23)19-14(20-13)22-3-5-25-6-4-22/h9-10H,3-8H2,1-2H3,(H,16,24).
What are the key properties of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 347.38 g/mol, XLogP of -1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 121138112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).