N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine

C12H23N5O — CID 114222859

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine
SMILESCCCn1nncc1NCC1CN(CC)CCO1
InChIInChI=1S/C12H23N5O/c1-3-5-17-12(9-14-15-17)13-8-11-10-16(4-2)6-7-18-11/h9,11,13H,3-8,10H2,1-2H3
InChIKeyUVPZCBAULKCWTE-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.82
Rot. Bonds6

About N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine

N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine (PubChem CID 114222859) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine
PubChem CID114222859
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine
SMILESCCCn1nncc1NCC1CN(CC)CCO1
InChIInChI=1S/C12H23N5O/c1-3-5-17-12(9-14-15-17)13-8-11-10-16(4-2)6-7-18-11/h9,11,13H,3-8,10H2,1-2H3
InChIKeyUVPZCBAULKCWTE-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylimidazol-2-amine
CID 114400676
N-[(4-ethylmorpholin-2-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 114253529
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
N-[(4-ethylmorpholin-2-yl)methyl]-4-propylaniline
CID 79166530
N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 114400659
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]quinoxalin-2-amine
CID 95319257
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
CID 114399235
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164415
N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine
CID 114223433

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine (CID 114222859) is N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine is CCCn1nncc1NCC1CN(CC)CCO1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine?
The InChIKey is UVPZCBAULKCWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-5-17-12(9-14-15-17)13-8-11-10-16(4-2)6-7-18-11/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine has a molecular weight of 253.35 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine is sourced from PubChem (CID 114222859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).