1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C10H19N5 — CID 106025646

IUPAC1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCN1CCCC1CNCc1nncn1C
InChIInChI=1S/C10H19N5/c1-14-5-3-4-9(14)6-11-7-10-13-12-8-15(10)2/h8-9,11H,3-7H2,1-2H3
InChIKeyHMMGNKFQMXZRRE-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.00
Rot. Bonds4

About 1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 106025646) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID106025646
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCN1CCCC1CNCc1nncn1C
InChIInChI=1S/C10H19N5/c1-14-5-3-4-9(14)6-11-7-10-13-12-8-15(10)2/h8-9,11H,3-7H2,1-2H3
InChIKeyHMMGNKFQMXZRRE-UHFFFAOYSA-N
XLogP-0.00
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106025024
1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 115905144
1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106895129
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
1-[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 99635547
4-[3-methyl-5-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-1,2,4-triazol-1-yl]benzenesulfonamide
CID 59531825
[4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol
CID 106021383
N-[(5-methyl-2-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115698907
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115683653
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593264
2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113227167

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 106025646) is 1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is CN1CCCC1CNCc1nncn1C.
What is the InChIKey of 1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is HMMGNKFQMXZRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-14-5-3-4-9(14)6-11-7-10-13-12-8-15(10)2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 209.30 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 106025646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).