N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine

C19H26N6 — CID 46997844

IUPACN-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
SMILESCc1ccnc(CC(C)N(C)Cc2cc(C)n(-n3cnnc3)c2C)c1
InChIInChI=1S/C19H26N6/c1-14-6-7-20-19(8-14)10-15(2)23(5)11-18-9-16(3)25(17(18)4)24-12-21-22-13-24/h6-9,12-13,15H,10-11H2,1-5H3
InChIKeyBBHOEOQJBORRNM-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.77
Rot. Bonds6

About N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine

N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine (PubChem CID 46997844) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound NameN-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
PubChem CID46997844
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
SMILESCc1ccnc(CC(C)N(C)Cc2cc(C)n(-n3cnnc3)c2C)c1
InChIInChI=1S/C19H26N6/c1-14-6-7-20-19(8-14)10-15(2)23(5)11-18-9-16(3)25(17(18)4)24-12-21-22-13-24/h6-9,12-13,15H,10-11H2,1-5H3
InChIKeyBBHOEOQJBORRNM-UHFFFAOYSA-N
XLogP2.77
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 94606646
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46993022
(2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 124758227
(2R)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124752794
(2R)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 99943544
(2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124754653
(2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124749899
(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 95046645
(2R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 126441426
4-[[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
CID 46994138
2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine
CID 152828234
(2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 28923762

Frequently Asked Questions

What is the IUPAC name of N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The IUPAC name of N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine (CID 46997844) is N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine is Cc1ccnc(CC(C)N(C)Cc2cc(C)n(-n3cnnc3)c2C)c1.
What is the InChIKey of N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The InChIKey is BBHOEOQJBORRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-14-6-7-20-19(8-14)10-15(2)23(5)11-18-9-16(3)25(17(18)4)24-12-21-22-13-24/h6-9,12-13,15H,10-11H2,1-5H3.
What are the key properties of N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine has a molecular weight of 338.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 46997844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).