N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine

C18H22N6 — CID 135114283

IUPACN-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
SMILESCN(Cc1nc2ncccn2n1)CC1CCN(c2ccccc2)C1
InChIInChI=1S/C18H22N6/c1-22(14-17-20-18-19-9-5-10-24(18)21-17)12-15-8-11-23(13-15)16-6-3-2-4-7-16/h2-7,9-10,15H,8,11-14H2,1H3
InChIKeyQEGMARBBRXTQDB-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.08
Rot. Bonds5

About N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine

N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine (PubChem CID 135114283) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
PubChem CID135114283
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
SMILESCN(Cc1nc2ncccn2n1)CC1CCN(c2ccccc2)C1
InChIInChI=1S/C18H22N6/c1-22(14-17-20-18-19-9-5-10-24(18)21-17)12-15-8-11-23(13-15)16-6-3-2-4-7-16/h2-7,9-10,15H,8,11-14H2,1H3
InChIKeyQEGMARBBRXTQDB-UHFFFAOYSA-N
XLogP2.08
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 97281987
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 135092750
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 124756986
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 99943025
N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 99929262
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride
CID 154892757
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 135115058
4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
CID 97131518
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 131906546
N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine
CID 134696967

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine (CID 135114283) is N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine is CN(Cc1nc2ncccn2n1)CC1CCN(c2ccccc2)C1.
What is the InChIKey of N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine?
The InChIKey is QEGMARBBRXTQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-22(14-17-20-18-19-9-5-10-24(18)21-17)12-15-8-11-23(13-15)16-6-3-2-4-7-16/h2-7,9-10,15H,8,11-14H2,1H3.
What are the key properties of N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine?
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine has a molecular weight of 322.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine is sourced from PubChem (CID 135114283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).