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

C12H23N5O — CID 83099732

IUPACN-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine
SMILESCCCn1ncnc1CN1CCOCC1CNC
InChIInChI=1S/C12H23N5O/c1-3-4-17-12(14-10-15-17)8-16-5-6-18-9-11(16)7-13-2/h10-11,13H,3-9H2,1-2H3
InChIKeyAHLHIJYHGPCUKX-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.11
Rot. Bonds6

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

N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine (PubChem CID 83099732) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine
PubChem CID83099732
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine
SMILESCCCn1ncnc1CN1CCOCC1CNC
InChIInChI=1S/C12H23N5O/c1-3-4-17-12(14-10-15-17)8-16-5-6-18-9-11(16)7-13-2/h10-11,13H,3-9H2,1-2H3
InChIKeyAHLHIJYHGPCUKX-UHFFFAOYSA-N
XLogP0.11
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-1,2,4-triazol-3-yl)morpholine
CID 65547861
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 47253001
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 50953849
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 51082705
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-methyl-2-morpholin-4-ylbutyl)urea
CID 53504326
4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284481
N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide
CID 75397424
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284476
2-(4-ethyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62692797
3-[1-(2,2,2-Trifluoroethyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 110209422
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxan-4-amine
CID 125440078
(1S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 164634458

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine (CID 83099732) is N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine is CCCn1ncnc1CN1CCOCC1CNC.
What is the InChIKey of N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine?
The InChIKey is AHLHIJYHGPCUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-4-17-12(14-10-15-17)8-16-5-6-18-9-11(16)7-13-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine?
N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine is sourced from PubChem (CID 83099732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).