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

C10H19N5O — CID 62118462

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCn1cnnc1CNCCN1CCOCC1
InChIInChI=1S/C10H19N5O/c1-14-9-12-13-10(14)8-11-2-3-15-4-6-16-7-5-15/h9,11H,2-8H2,1H3
InChIKeyBULUIRRBAMWLDV-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.76
Rot. Bonds5

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 62118462) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID62118462
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCn1cnnc1CNCCN1CCOCC1
InChIInChI=1S/C10H19N5O/c1-14-9-12-13-10(14)8-11-2-3-15-4-6-16-7-5-15/h9,11H,2-8H2,1H3
InChIKeyBULUIRRBAMWLDV-UHFFFAOYSA-N
XLogP-0.76
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine (CID 62118462) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine is Cn1cnnc1CNCCN1CCOCC1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is BULUIRRBAMWLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-14-9-12-13-10(14)8-11-2-3-15-4-6-16-7-5-15/h9,11H,2-8H2,1H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 225.30 g/mol, XLogP of -0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 62118462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).