N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine

C11H17N5O — CID 129398717

IUPACN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
SMILESCCc1n[nH]c(CN(C)Cc2cc(C)on2)n1
InChIInChI=1S/C11H17N5O/c1-4-10-12-11(14-13-10)7-16(3)6-9-5-8(2)17-15-9/h5H,4,6-7H2,1-3H3,(H,12,13,14)
InChIKeyQIHVLUBQKGVUDP-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.30
Rot. Bonds5

About N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine

N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine (PubChem CID 129398717) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
PubChem CID129398717
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
SMILESCCc1n[nH]c(CN(C)Cc2cc(C)on2)n1
InChIInChI=1S/C11H17N5O/c1-4-10-12-11(14-13-10)7-16(3)6-9-5-8(2)17-15-9/h5H,4,6-7H2,1-3H3,(H,12,13,14)
InChIKeyQIHVLUBQKGVUDP-UHFFFAOYSA-N
XLogP1.30
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine (CID 129398717) is N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine is CCc1n[nH]c(CN(C)Cc2cc(C)on2)n1.
What is the InChIKey of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine?
The InChIKey is QIHVLUBQKGVUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-10-12-11(14-13-10)7-16(3)6-9-5-8(2)17-15-9/h5H,4,6-7H2,1-3H3,(H,12,13,14).
What are the key properties of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine?
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine has a molecular weight of 235.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 129398717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).