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

C13H21N7 — CID 91798054

IUPAC3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCN(Cc1ccn[nH]1)Cc1nnc(C2CC(N)C2)n1C
InChIInChI=1S/C13H21N7/c1-19(7-11-3-4-15-16-11)8-12-17-18-13(20(12)2)9-5-10(14)6-9/h3-4,9-10H,5-8,14H2,1-2H3,(H,15,16)
InChIKeyRVDDKLNJUTVITH-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.37
Rot. Bonds5

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

3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91798054) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91798054
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCN(Cc1ccn[nH]1)Cc1nnc(C2CC(N)C2)n1C
InChIInChI=1S/C13H21N7/c1-19(7-11-3-4-15-16-11)8-12-17-18-13(20(12)2)9-5-10(14)6-9/h3-4,9-10H,5-8,14H2,1-2H3,(H,15,16)
InChIKeyRVDDKLNJUTVITH-UHFFFAOYSA-N
XLogP0.37
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91773371
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-[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-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91777122
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
3-[4-methyl-5-[(3-phenoxyphenoxy)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91787662
2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol
CID 70774901
3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91784287
3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91764234
3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91791098

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91798054) is 3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is CN(Cc1ccn[nH]1)Cc1nnc(C2CC(N)C2)n1C.
What is the InChIKey of 3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is RVDDKLNJUTVITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-19(7-11-3-4-15-16-11)8-12-17-18-13(20(12)2)9-5-10(14)6-9/h3-4,9-10H,5-8,14H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 0.37, 5 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(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91798054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).