3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

C19H25N7 — CID 91777665

IUPAC3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCN(Cc1cc(-c2ccccc2)n[nH]1)Cc1nnc(C2CC(N)C2)n1C
InChIInChI=1S/C19H25N7/c1-25(11-16-10-17(22-21-16)13-6-4-3-5-7-13)12-18-23-24-19(26(18)2)14-8-15(20)9-14/h3-7,10,14-15H,8-9,11-12,20H2,1-2H3,(H,21,22)
InChIKeyUGGROSOZTMWJPO-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.04
Rot. Bonds6

About 3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91777665) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91777665
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCN(Cc1cc(-c2ccccc2)n[nH]1)Cc1nnc(C2CC(N)C2)n1C
InChIInChI=1S/C19H25N7/c1-25(11-16-10-17(22-21-16)13-6-4-3-5-7-13)12-18-23-24-19(26(18)2)14-8-15(20)9-14/h3-7,10,14-15H,8-9,11-12,20H2,1-2H3,(H,21,22)
InChIKeyUGGROSOZTMWJPO-UHFFFAOYSA-N
XLogP2.04
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91798054
N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91763936
3-[4-ethyl-5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91797860
3-[4-methyl-5-[(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91769754
2-[[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136664861
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid
CID 154886914
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
CID 91829637
3-[4-methyl-5-[(3-phenoxyphenoxy)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91787662
5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138380122
N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide
CID 50957301
1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 102550613
3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91777122

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91777665) is 3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1nnc(C2CC(N)C2)n1C.
What is the InChIKey of 3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is UGGROSOZTMWJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-25(11-16-10-17(22-21-16)13-6-4-3-5-7-13)12-18-23-24-19(26(18)2)14-8-15(20)9-14/h3-7,10,14-15H,8-9,11-12,20H2,1-2H3,(H,21,22).
What are the key properties of 3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 351.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91777665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).