N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide

C17H30N6O2 — CID 91771705

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)CCN3CCOCC3)C2)n1C
InChIInChI=1S/C17H30N6O2/c1-21(2)12-15-19-20-17(22(15)3)13-10-14(11-13)18-16(24)4-5-23-6-8-25-9-7-23/h13-14H,4-12H2,1-3H3,(H,18,24)
InChIKeyDCPDQZATGHTTHW-UHFFFAOYSA-N
MW350.47 g/mol
LogP-0.04
Rot. Bonds7

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide (PubChem CID 91771705) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide
PubChem CID91771705
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)CCN3CCOCC3)C2)n1C
InChIInChI=1S/C17H30N6O2/c1-21(2)12-15-19-20-17(22(15)3)13-10-14(11-13)18-16(24)4-5-23-6-8-25-9-7-23/h13-14H,4-12H2,1-3H3,(H,18,24)
InChIKeyDCPDQZATGHTTHW-UHFFFAOYSA-N
XLogP-0.04
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide (CID 91771705) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide is CN(C)Cc1nnc(C2CC(NC(=O)CCN3CCOCC3)C2)n1C.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide?
The InChIKey is DCPDQZATGHTTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-21(2)12-15-19-20-17(22(15)3)13-10-14(11-13)18-16(24)4-5-23-6-8-25-9-7-23/h13-14H,4-12H2,1-3H3,(H,18,24).
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide has a molecular weight of 350.47 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 91771705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).