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

C10H16ClN5O — CID 68801878

IUPAC[2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride
SMILESCCc1n[nH]c(Cc2nc(C)c(CN)o2)n1.Cl
InChIInChI=1S/C10H15N5O.ClH/c1-3-8-13-9(15-14-8)4-10-12-6(2)7(5-11)16-10;/h3-5,11H2,1-2H3,(H,13,14,15);1H
InChIKeyQVDPDKMFZXVVRV-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.13
Rot. Bonds4

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

[2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride (PubChem CID 68801878) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is [2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride
PubChem CID68801878
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name[2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride
SMILESCCc1n[nH]c(Cc2nc(C)c(CN)o2)n1.Cl
InChIInChI=1S/C10H15N5O.ClH/c1-3-8-13-9(15-14-8)4-10-12-6(2)7(5-11)16-10;/h3-5,11H2,1-2H3,(H,13,14,15);1H
InChIKeyQVDPDKMFZXVVRV-UHFFFAOYSA-N
XLogP1.13
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride (CID 68801878) is [2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride is CCc1n[nH]c(Cc2nc(C)c(CN)o2)n1.Cl.
What is the InChIKey of [2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride?
The InChIKey is QVDPDKMFZXVVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O.ClH/c1-3-8-13-9(15-14-8)4-10-12-6(2)7(5-11)16-10;/h3-5,11H2,1-2H3,(H,13,14,15);1H.
What are the key properties of [2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride?
[2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 68801878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).